SCHEMBL5252015

SCHEMBL5252015

OCCCSc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.55
HTR1A P08908 7/20 0.43
DRD2 P14416 7/20 0.43
HTR2A P28223 7/20 0.43
DRD3 P35462 7/20 0.43
HTR7 P34969 3/20 0.43
HTR2B P41595 3/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MAPK14 Q16539 1/20 0.42
DRD1 P21728 3/20 0.42
DRD5 P21918 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 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
SCHEMBL9670880 0.89 CA2 (0.64) CA2ALDH1A1LMNACA12CA1
SCHEMBL5252214 0.88 CA2 (0.57) CA2ALDH1A1LMNAHTTCA12
SCHEMBL5256127 0.86 CA2 (0.52) CA2ALDH1A1LMNAHTTMAPK14
SCHEMBL15013797 0.86 HTR1A (0.47) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL29738634 0.81 ALDH1A1 (0.52) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL3235087 0.80 CA2 (0.56) CA2ALDH1A1LMNACA12CA1
SCHEMBL9670928 0.79 CA2 (0.67) CA2ALDH1A1LMNACA12CA1
SCHEMBL5979697 0.78 HTR1A (0.43) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL424976 0.78 MAOA (0.53) HTR1ADRD2HTR2ADRD3HTR7
SCHEMBL4654113 0.78 HTR1A (0.43) HTR1ADRD2HTR2ADRD3HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122039074-A Method for preparing sulfoxide compound by electrochemical microchannel continuous flow oxidation 南京工业大学 2026-05-15 CN disclosed
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US disclosed
CN-100384836-C Novel cyclic amide derivative MITSUBISHI PHARMACEUTICALS INC (JP) 2008-04-30 CN disclosed
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
CN-1426405-A Novel cyclic amide derivative MITSUBISHI PHARMACEUTICALS INC (JP) 2003-06-25 CN disclosed
EP-0939628-B1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2003-03-05 EP disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP disclosed
US-6013649-A BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS MONSANTO COMPANY (US) 2000-01-11 US disclosed
EP-0939628-A4 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 1999-12-22 EP disclosed
EP-0939628-A1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003164-A1 THIOL SULFONE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 WO disclosed
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 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 (2 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-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS NTSR2, HTR3B, NTSR1 CA2 2787/4885HTR1A 28/4885DRD2 226/4885
US-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 CA2 3770/4885HTR1A 79/4885DRD2 402/4885

“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.