SCHEMBL3988403

SCHEMBL3988403

CCc1cccc(F)c1O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.70
GABRB2 P47870 3/20 0.70
ALB P02768 1/20 0.47
ERN1 O75460 1/20 0.47
ANO1 Q5XXA6 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
RIPK1 Q13546 3/20 0.42
PTPN5 P54829 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IAPP P10997 1/20 0.39

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
SCHEMBL23250713 0.85 GABRA1 (0.61) GABRA1GABRB2ALBERN1ANO1
SCHEMBL199730 0.83 GABRA1 (1.00) GABRA1GABRB2PTPN5IAPP
SCHEMBL2050917 0.83 GABRA1 (0.46) GABRA1GABRB2ALBERN1ANO1
SCHEMBL27729786 0.82 ALB (0.47) GABRA1GABRB2ALBERN1ANO1
SCHEMBL26109749 0.81 ALB (0.45) GABRA1GABRB2ALBERN1ANO1
SCHEMBL15107549 0.81 GABRA1 (0.45) GABRA1GABRB2ALBERN1ANO1
SCHEMBL28005176 0.81 IAPP (0.47) GABRA1GABRB2ALBERN1ANO1
SCHEMBL28357376 0.79 ANO1 (0.47) GABRA1GABRB2ALBERN1ANO1
SCHEMBL27809647 0.79 ALOX5 (0.53) GABRA1GABRB2NR1H2NR1H3IAPP
SCHEMBL2642807 0.79 ALB (0.43) GABRA1GABRB2ALBERN1ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-04-07 US disclosed
US-11242350-B2 Spirocyclic ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2022-02-08 US disclosed
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-02-25 US disclosed
EP-3765020-A1 SPIROCYCLIC ROR-GAMMA MODULATORS Escalier Biosciences B.V. (US) 2021-01-20 EP disclosed
US-10875839-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
CN-112118841-A Spirocyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2020-12-22 CN disclosed
US-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-06-18 US disclosed
WO-2019177997-A1 SPIROCYCLIC ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. (US) 2019-09-19 WO disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO disclosed
EP-0816349-A1 NOVEL CLATHRATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND COATING COMPOSITION CONTAINING SAID NOVEL CLATHRATE COMPOUND ROHM AND HAAS COMPANY (US) 1998-01-07 EP 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 (12 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-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885ALB 3218/4885
US-11242350-B2 Spirocyclic ROR-gamma modulators RORA, RORC, RORB GABRA1 188/4885GABRB2 175/4885ALB 2638/4885
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 GABRA1 1141/4885GABRB2 2290/4885ALB 3717/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 GABRA1 1989/4885GABRB2 2620/4885ALB 1823/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 GABRA1 933/4885GABRB2 1739/4885ALB 1873/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R GABRA1 252/4885GABRB2 179/4885ALB 4350/4885
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 GABRA1 4619/4885GABRB2 4676/4885ALB 2703/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 GABRA1 4471/4885GABRB2 4726/4885ALB 2646/4885
US-20220106323-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB GABRA1 188/4885GABRB2 175/4885ALB 2638/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 GABRA1 4471/4885GABRB2 4726/4885ALB 2646/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 GABRA1 322/4885GABRB2 182/4885ALB 3218/4885
US-20210053976-A1 SPIROCYCLIC ROR-GAMMA MODULATORS RORA, RORC, RORB GABRA1 146/4885GABRB2 174/4885ALB 3352/4885

“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.