SCHEMBL91231

SCHEMBL91231

CC(C)N(Cc1ccccc1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2B P18089 1/20 0.52
▸ ADRA2C P18825 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ TSHR P16473 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ AOC3 Q16853 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ RIPK1 Q13546 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18135496 0.83 SLC6A2 (0.44) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL22912455 0.81 TAAR1 (0.39) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL13153419 0.79 TAAR1 (0.52) SLC6A2SLC6A4ADRA1ASLC6A3KCNH2
SCHEMBL13153417 0.79 RIPK1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1AOC3
SCHEMBL13153418 0.77 RIPK1 (0.49) SLC6A2SLC6A3ALDH1A1MEN1KMT2A
SCHEMBL9023235 0.77 KCNH2 (0.40) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL733940 0.75 KMT2A (0.45) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL22651832 0.75 HTR2A (0.57) ADRA2CSLC6A2HTR2ASLC6A4ADRA1A
SCHEMBL24716193 0.75 TSHR (0.41) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL13463904 0.75 ALDH1A1 (0.39) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874409-A Green debenzylation method by photocatalytic molecular oxygen oxidation 大连理工大学 2023-10-13 — — CN disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 — — US disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 — — US disclosed
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2022-10-18 — — US disclosed
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
US-11185853-B2 Catalysts for polycarbonate production SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-11-30 — — US disclosed
US-20200354364-A1 PURINE DERIVATIVES FOR USE AS MEDICAMENT AND FOR USE IN TREATING NEURODEGENERATIVE OR NEURO-INFLAMMATORY DISORDERS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2020-11-12 — — US disclosed
US-10662211-B2 Catalysts and methods for polymer synthesis Saurdi Aramco Technologies Company (SA) 2020-05-26 — — US disclosed
US-10479861-B2 Catalytic carbonylation catalysts and methods NOVOMER, INC. (US) 2019-11-19 — — US disclosed
US-10464960-B2 Salen complexes with dianionic counterions SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2019-11-05 — — US disclosed
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 — — US disclosed
US-20130144031-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 — — US disclosed
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 — — US disclosed
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 — — US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 — — US disclosed
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2011-06-23 — — US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 — — US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 ADRA2B 639/4885ADRA2C 469/4885SLC6A2 2127/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ADRA2B 3942/4885ADRA2C 4163/4885SLC6A2 4301/4885
US-10662211-B2 Catalysts and methods for polymer synthesis PPOX, COASY, SOD1 ADRA2B 4872/4885ADRA2C 4799/4885SLC6A2 4530/4885
US-10464960-B2 Salen complexes with dianionic counterions NCLN, POLN, NCL ADRA2B 3542/4885ADRA2C 3404/4885SLC6A2 812/4885
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES ADORA1, OXGR1, ADORA2A ADRA2B 153/4885ADRA2C 205/4885SLC6A2 459/4885
US-11472807-B2 Purine derivatives for use as medicament and for use in treating neurodegenerative or neuro-inflammatory disorders TPMT, ADORA2A, PNP ADRA2B 1543/4885ADRA2C 1342/4885SLC6A2 50/4885
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 ADRA2B 4872/4885ADRA2C 4799/4885SLC6A2 4530/4885
US-10479861-B2 Catalytic carbonylation catalysts and methods CBR3, CBR1, EPHX2 ADRA2B 4775/4885ADRA2C 4205/4885SLC6A2 4712/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 ADRA2B 639/4885ADRA2C 469/4885SLC6A2 2127/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ADRA2B 3870/4885ADRA2C 3994/4885SLC6A2 4192/4885
US-20200354364-A1 PURINE DERIVATIVES FOR USE AS MEDICAMENT AND FOR USE IN TREATING NEURODEGENERATIVE OR NEURO-INFLAMMATORY DISORDERS TPMT, ADORA2A, PNP ADRA2B 1543/4885ADRA2C 1342/4885SLC6A2 50/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ADRA2B 517/4885ADRA2C 766/4885SLC6A2 652/4885
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 ADRA2B 4872/4885ADRA2C 4799/4885SLC6A2 4530/4885
US-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 ADRA2B 4316/4885ADRA2C 4393/4885SLC6A2 4150/4885
US-20110152497-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 ADRA2B 4872/4885ADRA2C 4799/4885SLC6A2 4530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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