SCHEMBL5507962

SCHEMBL5507962

OC1(N(Cc2ccccc2)Cc2ccccc2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
CA2 P00918 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SLC18A3 Q16572 1/20 0.37
G6PC1 P35575 1/20 0.37
AOC3 Q16853 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
SCHEMBL5794090 0.98 ALDH1A1 (0.40) ALDH1A1TSHROPRM1OPRL1CA2
SCHEMBL28819444 0.77 MAOA (0.44) ALDH1A1TSHROPRM1OPRL1CA2
SCHEMBL17113633 0.77 AKR1C1 (0.42) ALDH1A1CA2
SCHEMBL372682 0.77 AKR1C1 (0.42) ALDH1A1CA2
SCHEMBL14690804 0.74 DPP4 (0.43) ALDH1A1TSHROPRM1OPRL1CA2
SCHEMBL1964253 0.74 AKR1C1 (0.43) ALDH1A1CA2
SCHEMBL25663654 0.74 SLC6A2 (0.39) ALDH1A1TSHROPRM1OPRL1SLC6A2
SCHEMBL25663631 0.72 OPRL1 (0.38) ALDH1A1TSHROPRM1OPRL1CA2
SCHEMBL10625075 0.72 TSHR (0.41) ALDH1A1TSHROPRM1OPRL1CA2
SCHEMBL8985749 0.71 PAM (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415818-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BioSplice Therapeutics, Inc. (US) 2024-08-21 EP disclosed
WO-2023064361-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AS DYRK1A INHIBITORS BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
EP-3728265-A1 CRYSTALLINE SUBSTITUTED CYCLOHEXYL PYRAZOLO[1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUND AND THERAPEUTIC USES THEREOF BIAL - BioTech Investments, Inc. (PT) 2020-10-28 EP disclosed
CN-104884453-B Anthelmintic compounds and compositions and methods of using the same 梅里亚股份有限公司 2018-06-22 CN disclosed
EP-2481739-B1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HANSOH PHARMACEUTICAL CO LTD (CN) 2016-12-14 EP disclosed
EP-2481739-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2012-08-01 EP disclosed
US-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-07-19 US disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
EP-1019396-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SmithKline Beecham Corporation (US) 2000-07-19 EP disclosed
WO-1999001452-A1 NOVEL CYCLOALKYL SUBSTITUTED IMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-14 WO 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 (1 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-20120184543-A1 DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF PLK2, PLK3, DMPK ALDH1A1 1507/4885TSHR 4183/4885OPRM1 3115/4885

“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.