SCHEMBL2862310

SCHEMBL2862310

NCCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.65
HTR2A P28223 1/20 0.65
CYP19A1 P11511 6/20 0.47
SCN5A Q14524 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
CACNA1B Q00975 3/20 0.40
SLC6A3 Q01959 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39

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
Hydrochloric Acid SCHEMBL7389223 0.98 HRH1 (0.63) HRH1HTR2ACYP19A1SCN5ATAAR1
SCHEMBL22028771 0.94 HRH1 (0.57) HRH1HTR2ACYP19A1SCN5ATAAR1
SCHEMBL8251123 0.92 HRH1 (0.55) HRH1HTR2ACYP19A1SCN5ATAAR1
SCHEMBL5092009 0.92 HRH1 (0.55) HRH1HTR2ACYP19A1SCN5ATAAR1
SCHEMBL4618800 0.86 HRH1 (0.62) HRH1HTR2ACYP19A1TAAR1CACNA1B
Hydrochloric Acid SCHEMBL9662256 0.84 HRH1 (0.60) HRH1HTR2ACYP19A1TAAR1CACNA1B
SCHEMBL7279759 0.81 HRH1 (0.75) HRH1HTR2ACYP19A1TAAR1SLC6A3
SCHEMBL15607723 0.81 AOC3 (0.52) HRH1HTR2ATAAR1
SCHEMBL6700730 0.80 CYP19A1 (0.49) HRH1HTR2ACYP19A1SCN5ACACNA1B
SCHEMBL2595626 0.80 HRH1 (0.68) HRH1HTR2ACYP19A1TAAR1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 US claimed
EP-1481673-A1 MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST Ajinomoto Co., Inc. (JP) 2004-12-01 EP claimed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US claimed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO claimed
EP-2146961-B1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES IVAX INT GMBH (CH) 2014-01-29 EP disclosed
US-7713957-B2 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2010-05-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 US disclosed
EP-1481673-A1 MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST Ajinomoto Co., Inc. (JP) 2004-12-01 EP disclosed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed
EP-0320455-B1 ARALIPHATYL AMINOALCANE DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0320455-A1 Araliphatyl aminoalcane diphosphonic acids CIBA-GEIGY AG (CH) 1989-06-14 EP disclosed
US-4366154-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS SANDOZ, INC. (US) 1982-12-28 US disclosed
US-4045448-A ANALGESICS, TRANQUILIZERS, ANTICONVULSANTS AMERICAN HOECHST CORPORATION (US) 1977-08-30 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 (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-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist CACNA1B, CACNA1G, CACNA1C HRH1 1348/4885HTR2A 1400/4885CYP19A1 3373/4885

“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.