SCHEMBL1462497

SCHEMBL1462497

CCCCCCNC[C]=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
ALDH1A1 P00352 1/20 0.57
EPHX1 P07099 7/20 0.52
ADH1B P00325 2/20 0.52
ADH1C P00326 2/20 0.52
ADH1A P07327 2/20 0.52
ADH7 P40394 2/20 0.52
ADH4 P08319 1/20 0.52
S1PR2 O95136 5/20 0.47
S1PR4 O95977 5/20 0.47
S1PR1 P21453 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR5 Q9H228 1/20 0.47
PPARA Q07869 2/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
CASP2 P42575 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
SCHEMBL1740597 1.00 TSHR (0.57) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1140581 0.97
SCHEMBL210457 0.90
SCHEMBL28231691 0.81 ALDH1A1 (0.59) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL28231695 0.81 ALDH1A1 (0.59) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL23929276 0.78 TSHR (0.93) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL23929270 0.78 TSHR (0.93) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL22835051 0.78 TSHR (0.93) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL23929261 0.78 TSHR (0.93) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL22288098 0.78 TSHR (0.93) TSHRALDH1A1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642530-A1 DERIVATIVES OF DOLASTATIN BASF Aktiengesellschaft (DE) 1995-03-15 EP claimed
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-16 US disclosed
US-11147821-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-19 US disclosed
US-11013746-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-25 US disclosed
US-20190117666-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-25 US disclosed
EP-2854815-B1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMA CO LTD (JP) 2017-11-22 EP disclosed
US-20170239265-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-24 US disclosed
US-20170196877-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-13 US disclosed
US-9669075-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-06 US disclosed
WO-2013180310-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-05 WO disclosed
EP-2374798-B1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
EP-2374797-A1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-12 EP disclosed
EP-2374798-A1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-12 EP disclosed
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-03-24 US disclosed
EP-2170831-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS Otsuka Pharmaceutical Co., Ltd. (JP) 2010-04-07 EP disclosed
WO-2009001968-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-31 WO disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
EP-0002822-B1 PHOSPHORUS CONTAINING PEPTIDE DERIVATIVES, THEIR PRODUCTION, INTERMEDIATES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-07-28 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 (8 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-11147821-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 TSHR 317/4885ALDH1A1 3354/4885EPHX1 3046/4885
US-11013746-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 TSHR 317/4885ALDH1A1 3354/4885EPHX1 3046/4885
US-20190117666-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 TSHR 317/4885ALDH1A1 3354/4885EPHX1 3046/4885
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 TSHR 317/4885ALDH1A1 3354/4885EPHX1 3046/4885
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS AVPR2, AVPR1B, AVPR1A TSHR 503/4885ALDH1A1 1456/4885EPHX1 2950/4885
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 TSHR 317/4885ALDH1A1 3354/4885EPHX1 3046/4885
US-20170239265-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 TSHR 317/4885ALDH1A1 3354/4885EPHX1 3046/4885
US-20170196877-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 TSHR 317/4885ALDH1A1 3354/4885EPHX1 3046/4885

“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.