SCHEMBL5864161

SCHEMBL5864161

Fc1ccc(C(CCCBr)c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.47
SCN5A Q14524 1/20 0.44
CACNA1B Q00975 2/20 0.43
SLC6A3 Q01959 2/20 0.40
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
MAPK1 P28482 2/20 0.38
FAAH O00519 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1F O60840 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL7808300 0.94 CYP19A1 (0.46) CYP19A1SCN5ACACNA1BSLC6A3LMNA
SCHEMBL5089274 0.92 CYP19A1 (0.45) CYP19A1SCN5ACACNA1BSLC6A3LMNA
SCHEMBL6902789 0.92 CYP19A1 (0.45) CYP19A1SCN5ACACNA1BSLC6A3LMNA
SCHEMBL3688208 0.86 CYP19A1 (0.44) CYP19A1SCN5ACACNA1BMAPK1MITF
SCHEMBL6702276 0.81 CYP19A1 (0.49) CYP19A1HTR2AHRH1MAPK1MITF
SCHEMBL21393419 0.81 AOC3 (0.47) SLC6A3DRD3LMNA
SCHEMBL6700730 0.80 CYP19A1 (0.49) CYP19A1SCN5ACACNA1BSLC6A3HTR2A
SCHEMBL904449 0.79 HRH1 (0.60) CYP19A1SLC6A3HTR2AHRH1CYP3A4
SCHEMBL3756197 0.79 CACNA1B (0.35) CACNA1BSLC6A3HTT
SCHEMBL904927 0.78 CYP19A1 (0.47) CYP19A1SCN5ACACNA1BSLC6A3MAPK1

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
US-20240287019-A1 T-TYPE CALCIUM CHANNEL BLOCKER FUSO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2024-08-29 US disclosed
EP-4353713-A1 T-TYPE CALCIUM CHANNEL BLOCKER Kinki University (JP) 2024-04-17 EP disclosed
WO-2022260016-A1 T-TYPE CALCIUM CHANNEL BLOCKER 学校法人近畿大学 2022-12-15 WO disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed
US-5932573-A Substituted quinolines and isoquinolines as calcium channel blockers, their preparation and the use thereof WARNER-LAMBERT COMPANY (US) 1999-08-03 US disclosed
US-5767129-A TREATING CEREBROVASCULAR DISORDERS, PAIN, CEREBRAL ISCHEMIA WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-4918073-A CALCIUM ANTAGONISTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-17 US disclosed
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US disclosed
EP-0229623-A2 Diaryl-substituted alkylamines, procedure for their preparation, their application and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed
US-4590273-A NEUROLEPTIC HYPOTENSIVE AND ANTIARRHYTHMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1986-05-20 US 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC CYP19A1 1036/4885SCN5A 1000/4885CACNA1B 2243/4885
US-20240287019-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1G, CACNA1I, CACNA1H CYP19A1 4368/4885SCN5A 95/4885CACNA1B 10/4885

“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.