SCHEMBL10137745

SCHEMBL10137745

O=C(OCc1ccccc1)C1CC(O)CN1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 4/20 0.47
BACE1 P56817 1/20 0.47
HTR2C P28335 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
CTSC P53634 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL23485377 1.00 TSHR (0.51) TSHRALDH1A1BACE1HTR2CFABP7
SCHEMBL21961574 1.00 TSHR (0.51) TSHRALDH1A1BACE1HTR2CFABP7
SCHEMBL9636938 1.00 TSHR (0.51) TSHRALDH1A1BACE1HTR2CFABP7
SCHEMBL1077276 1.00 TSHR (0.51) TSHRALDH1A1BACE1HTR2CFABP7
SCHEMBL7382311 1.00 TSHR (0.51) TSHRALDH1A1BACE1HTR2CFABP7
Hydrochloric Acid SCHEMBL1784263 0.99 TSHR (0.53) TSHRALDH1A1BACE1HTR2CFABP7
Hydrochloric Acid SCHEMBL7382305 0.99 TSHR (0.53) TSHRALDH1A1BACE1HTR2CFABP7
SCHEMBL8604142 0.89 ALDH1A1 (0.43) TSHRALDH1A1BACE1HTR2CFABP7
SCHEMBL8602762 0.89 ALDH1A1 (0.43) TSHRALDH1A1BACE1HTR2CFABP7
SCHEMBL4877662 0.88 TSHR (0.58) TSHRALDH1A1BACE1HTR2CFABP7

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668863-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-06-24 EP disclosed
CN-107108633-B Heterocyclyl-linked imidazopyridazine derivatives as PI3K β inhibitors 詹森药业有限公司 2020-05-12 CN disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-4681886-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-07-21 US disclosed
EP-0095584-B1 SUBSTITUTED 4-PHENOXY AND 4-PHENYLTHIO PROLINES E.R. Squibb & Sons, Inc. (US) 1987-01-07 EP disclosed
EP-0095584-A2 Substituted 4-phenoxy and 4-phenylthio prolines E.R. Squibb & Sons, Inc. (US) 1983-12-07 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 (3 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TSHR 4691/4885ALDH1A1 2369/4885BACE1 225/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP TSHR 4691/4885ALDH1A1 2369/4885BACE1 225/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TSHR 4691/4885ALDH1A1 2369/4885BACE1 225/4885

“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.