SCHEMBL286721

SCHEMBL286721

N#Cc1cccc2c1C=CC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
TRPA1 O75762 2/20 0.36
TSHR P16473 1/20 0.34
PNMT P11086 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRIN2B Q13224 2/20 0.31
DRD2 P14416 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL28926913 0.98 CA1 (0.43) CA1CA2TRPA1TSHRPNMT
SCHEMBL31135690 0.81 CA1 (0.35) CA1CA2TRPA1TSHRPNMT
SCHEMBL21694388 0.80 PRKCQ (0.36) CA1CA2
SCHEMBL2860480 0.80 CA1 (0.33) CA1CA2
SCHEMBL4946855 0.76 ESR2 (0.33) CA1CA2TSHRPNMTKDM4E
SCHEMBL28067215 0.72 PARP1 (0.43) CA1CA2TRPA1TSHRPNMT
SCHEMBL286500 0.72 TRPA1 (0.33) CA1CA2TRPA1TSHRPNMT
SCHEMBL26606283 0.72 CA1 (0.34) CA1CA2KDM4EALDH1A1
SCHEMBL6454972 0.71 CA1 (0.35) CA1CA2TSHRALDH1A1HTR2C
SCHEMBL11784140 0.71 TRPA1 (0.45) CA1CA2TRPA1TSHRGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174516-A1 AMINO-PYRIMIDINE AMIDES HOFFMANN-LA ROCHE INC. (US) 2023-06-08 US claimed
EP-4161918-A1 SUBSTITUTED AMINO-PYRIMIDINES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP claimed
WO-2021249892-A1 SUBSTITUTED AMINO-PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO claimed
US-12077506-B2 Indane derivatives as hypoxia inducible factor-2(α) inhibitors NIKANG THERAPEUTICS, INC. (US) 2024-09-03 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4093509-A1 SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS F. Hoffmann-La Roche AG (CH) 2022-11-30 EP disclosed
US-20220306610-A1 COMPOUNDS USEFUL FOR TREATING GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2022-09-29 US disclosed
WO-2021178780-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2021-09-10 WO disclosed
WO-2020081695-A1 INDANE DERIVATIVES AS HYPOXIA INDUCIBLE FACTOR-2(ALPHA) INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
EP-3565808-A1 COMPOUNDS USEFUL FOR TREATING GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2019-11-13 EP disclosed
CN-110256288-A A method of preparing (S) -1- amino -2,3- dihydro -1H- indenes -4- formonitrile HCN 苏州山青竹生物医药有限公司 2019-09-20 CN disclosed
WO-2018129552-A1 COMPOUNDS USEFUL FOR TREATING GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2018-07-12 WO disclosed
CN-105061350-B The sphingosine 1-phosphate receptor modulators and Chiral Synthesis of selectivity 赛尔基因第二国际有限公司 2018-05-29 CN disclosed
CN-106470993-A The azepine quinazoline inhibitor of Atypical protein kinase C 癌症研究科技有限公司 2017-03-01 CN disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
EP-2291080-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2011-03-09 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 (4 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-20220306610-A1 COMPOUNDS USEFUL FOR TREATING GASTROINTESTINAL TRACT DISORDERS SLC10A2, FABP2, SLC10A1 CA1 3911/4885CA2 1499/4885TRPA1 419/4885
US-12077506-B2 Indane derivatives as hypoxia inducible factor-2(α) inhibitors HIF1AN, HIF1A, NFE2L2 CA1 1453/4885CA2 213/4885TRPA1 4086/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 CA1 4207/4885CA2 2939/4885TRPA1 708/4885
US-20230174516-A1 AMINO-PYRIMIDINE AMIDES TYMS, TYMP, DPYD CA1 4389/4885CA2 4156/4885TRPA1 3037/4885

“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.