SCHEMBL9281135

SCHEMBL9281135

CCN(CC(C)(C)C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 4/20 0.41
▸ ADH1C P00326 3/20 0.41
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ EBP Q15125 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HPGD P15428 1/20 0.32

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
SCHEMBL9284267 0.98 ADH1A (0.38) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL9278394 0.96 ADH1C (0.34) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL8768114 0.89 CYP2D6 (0.39) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL9284811 0.89 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL9278278 0.83 ADH1A (0.44) ADH1AADH1CCYP1A2CYP2D6CYP2C19
SCHEMBL23073672 0.81 ADH1A (0.50) ADH1AADH1CCYP1A2CYP2D6CYP2C9
SCHEMBL613463 0.81 ADH1A (0.50) ADH1AADH1CCYP1A2CYP2D6CYP2C9
SCHEMBL150343 0.81 ADH1A (0.50) ADH1AADH1CCYP1A2CYP2D6CYP2C9
SCHEMBL612572 0.81 ADH1A (0.50) ADH1AADH1CCYP1A2CYP2D6CYP2C9
SCHEMBL356022 0.81 ADH1A (0.50) ADH1AADH1CCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077803-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2019-03-14 — — US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 — — US disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 — — US disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 — — US disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 — — US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 — — US disclosed
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS H. LUNDBECK A/S (DK) 2014-02-06 — — US disclosed
US-8580812-B2 Heteroaryl amide analogues as P2X7 antagonists H. LUNDBECK A/S (DK) 2013-11-12 — — US disclosed
US-20130172549-A1 Heteroaryl amide derivatives H. LUNDBECK A/S (DK) 2013-07-04 — — US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 — — US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 — — US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 — — US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 — — US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 — — US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 — — US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 — — US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 — — US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 — — US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 — — 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 (13 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 ADH1A 1104/4885ADH1C 1424/4885CYP1A2 2171/4885
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 ADH1A 606/4885ADH1C 1355/4885CYP1A2 1043/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 ADH1A 1040/4885ADH1C 1140/4885CYP1A2 933/4885
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A ADH1A 3385/4885ADH1C 4184/4885CYP1A2 844/4885
US-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 ADH1A 486/4885ADH1C 587/4885CYP1A2 808/4885
US-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 ADH1A 1321/4885ADH1C 2612/4885CYP1A2 398/4885
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 ADH1A 1710/4885ADH1C 2529/4885CYP1A2 421/4885
US-20190077803-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A ADH1A 3385/4885ADH1C 4184/4885CYP1A2 844/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR ADH1A 1626/4885ADH1C 1993/4885CYP1A2 757/4885
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues PIGS, HRH4, GPR68 ADH1A 3078/4885ADH1C 3946/4885CYP1A2 1888/4885
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 ADH1A 1085/4885ADH1C 1579/4885CYP1A2 810/4885
US-20130172549-A1 Heteroaryl amide derivatives HCAR2, PIGS, GPR52 ADH1A 1321/4885ADH1C 2612/4885CYP1A2 398/4885
US-20140038955-A1 HETEROARYL AMIDE ANALOGUES AS P2X7 ANTAGONISTS P2RX7, P2RX3, P2RX2 ADH1A 4530/4885ADH1C 4845/4885CYP1A2 976/4885

“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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