SCHEMBL6756331

SCHEMBL6756331

FC(F)(F)c1ccc2c(c1)CC[C@@H](CN1CCCC1)N2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ KCNH2 Q12809 2/20 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
SCHEMBL6756330 1.00 HRH3 (0.40) HRH3ALDH1A1GAAKMT2AMEN1
SCHEMBL6756327 1.00 HRH3 (0.40) HRH3ALDH1A1GAAKMT2AMEN1
SCHEMBL6754941 0.89 GAA (0.43) ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL6754937 0.89 GAA (0.43) ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL6754938 0.89 GAA (0.43) ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL6194486 0.85 ALDH1A1 (0.45) HRH3ALDH1A1KMT2AMEN1MAPT
SCHEMBL6754979 0.85 ALDH1A1 (0.45) HRH3ALDH1A1KMT2AMEN1MAPT
SCHEMBL6754975 0.85 ALDH1A1 (0.45) HRH3ALDH1A1KMT2AMEN1MAPT
SCHEMBL2321696 0.81 HTR7 (0.38) KMT2AMEN1MAPTKDM4E
SCHEMBL4525699 0.80 DRD4 (0.32) HRH3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713468-B2 AS ANTICONVULSANTS; FOR THERAPY AND PROPHYLAXIS OF ISCHAEMIAS, ANOXIA, NEURODEGENERATIVE DISEASES AVENTIS PHARMA S.A. (FR) 2004-03-30 — — US disclosed
US-20030055031-A1 Methods of using thiazolobenzoheterocycles RHONE-POULENC RORER S.A. 2003-03-20 — — US disclosed
US-6448241-B1 THESE COMPOUNDS ARE ANTICONVULSANTS AND INTERFERE WITH GLUTAMATERGIC TRANSMISSION AND ARE THEREFORE USEFUL FOR THE TREATMENT OR PREVENTION OF ALL ISCHAEMIAS FOLLOWING CEREBROVASCULAR ACCIDENTS AVENTIS PHARMA S.A. (FR) 2002-09-10 — — US disclosed
EP-0966473-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-07-24 — — EP disclosed
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 — — US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 — — US disclosed
EP-0966473-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 1999-12-29 — — EP disclosed
WO-1998038194-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-09-03 — — 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-20030055031-A1 Methods of using thiazolobenzoheterocycles SLCO2B1, SLCO1B1, CYP21A2 HRH3 1946/4885ALDH1A1 62/4885GAA 1691/4885

“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.

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