SCHEMBL84336

SCHEMBL84336

CC(C)(C)c1ccc2c(c1)NCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 2/20 0.40
PARP10 Q53GL7 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MLNR O43193 1/20 0.38
HTR1D P28221 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR1B P28222 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10224202 0.89 TRPV1 (0.53) TRPV1GFERSMN1; SMN2HTR1DADRA1A
SCHEMBL5472697 0.87 TRPV1 (0.49) TRPV1GFERMLNRHTR1DHTR1B
SCHEMBL10100725 0.85 DRD2 (0.53) PARP1PARP10DRD2DRD4MLNR
SCHEMBL16559644 0.83 PARP10 (0.41) TRPV1GFERSMN1; SMN2PARP1PARP10
SCHEMBL14154410 0.82 SMN1; SMN2 (0.49) TRPV1GFERSMN1; SMN2PARP1PARP10
SCHEMBL10272904 0.82 SMN1; SMN2 (0.46) TRPV1GFERSMN1; SMN2PARP1PARP10
SCHEMBL27418882 0.82 MEN1 (0.44) TRPV1MLNRALDH1A1HPGDALOX15
SCHEMBL1735429 0.81 PARP10 (0.60) GFERSMN1; SMN2PARP1PARP10DRD2
SCHEMBL30038782 0.81 PARP10 (0.60) GFERSMN1; SMN2PARP1PARP10DRD2
SCHEMBL15829267 0.78 KMT2A (0.44) TRPV1HTR1DADRA1AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-05 US disclosed
US-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-09-07 US disclosed
US-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-09-07 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-11661406-B2 Method for producing intermediate useful for synthesis of SGLT inhibitor DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-30 US disclosed
US-11661406-B2 Method for producing intermediate useful for synthesis of SGLT inhibitor DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-30 US disclosed
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 US disclosed
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-26 US disclosed
US-11530219-B2 Ligands to cereblon (CRBN) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives NEUROGEN CORPORATION (US) 2007-05-10 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20050075390-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6852711-B2 Novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for AGOURON PHARMACEUTICALS, INC. (US) 2005-02-08 US disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 TRPV1 129/4885GFER 4146/4885SMN1; SMN2 3869/4885
US-20070105865-A1 Substituted bicyclic quinazolin-4-ylamine derivatives PIGS, HRH4, GPR35 TRPV1 244/4885GFER 4233/4885SMN1; SMN2 2933/4885
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 CPS1, CPSF1, CPSF7 TRPV1 4178/4885GFER 3496/4885SMN1; SMN2 3905/4885
US-11661406-B2 Method for producing intermediate useful for synthesis of SGLT inhibitor SLC5A2, SLC5A1, UGT2B7 TRPV1 851/4885GFER 842/4885SMN1; SMN2 4413/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TRPV1 843/4885GFER 1096/4885SMN1; SMN2 4840/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C TRPV1 73/4885GFER 1597/4885SMN1; SMN2 959/4885
US-20230312575-A1 LIGANDS TO CEREBLON (CRBN) CRBN, CRKL, CDR2 TRPV1 4444/4885GFER 3758/4885SMN1; SMN2 1291/4885
US-11530219-B2 Ligands to cereblon (CRBN) CRBN, CRKL, CDR2 TRPV1 4444/4885GFER 3758/4885SMN1; SMN2 1291/4885
US-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS TRPV1 2201/4885GFER 2898/4885SMN1; SMN2 1579/4885
US-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD TRPV1 3700/4885GFER 2343/4885SMN1; SMN2 4359/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 TRPV1 327/4885GFER 962/4885SMN1; SMN2 4860/4885
US-20050075390-A1 HIV protease inhibitors DNPEP, PREP, PEPD TRPV1 3701/4885GFER 2409/4885SMN1; SMN2 4356/4885
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 TRPV1 258/4885GFER 3310/4885SMN1; SMN2 3121/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 TRPV1 3492/4885GFER 4127/4885SMN1; SMN2 3663/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG TRPV1 244/4885GFER 3081/4885SMN1; SMN2 3550/4885

“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.