SCHEMBL79458

SCHEMBL79458

Clc1cccc(CCCBr)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
PNMT P11086 2/20 0.52
AOC3 Q16853 1/20 0.50
CHRM2 P08172 2/20 0.47
CYP3A4 P08684 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
C3AR1 Q16581 1/20 0.45

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
SCHEMBL27784793 0.94 TAAR1 (0.57) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7741638 0.92 TAAR1 (0.55) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7098955 0.92 TAAR1 (0.55) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6527706 0.92 TAAR1 (0.55) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL177421 0.87 TAAR1 (0.63) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29566831 0.87 TAAR1 (0.63) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5241228 0.87 TAAR1 (0.68) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31567921 0.85 TAAR1 (0.65) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4402199 0.84 TDP1 (0.46) TAAR1
SCHEMBL12050856 0.82 TAAR1 (0.74) TAAR1HTR3EHTR3BHTR3AHTR3D

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145659-A1 HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR INTRA-CELLULAR THERAPIES, INC. (US) 2024-07-04 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-0414686-A1 DERIVATIVES OF TRIFLUOROMETHYL-1-TETRALINES, PREPARATION AND APPLICATION THEREOF FOR THE SYNTHESIS OF COMPOUNDS HAVING THERAPEUTIC PROPERTIES. LUCIEN LAB (FR) 1991-03-06 EP disclosed
EP-0383950-A1 PYRIDINE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-29 EP disclosed
WO-1989004819-A1 DERIVATIVES OF TRIFLUOROMETHYL-1-TETRALINES, PREPARATION AND APPLICATION THEREOF FOR THE SYNTHESIS OF COMPOUNDS HAVING THERAPEUTIC PROPERTIES LABORATOIRES LUCIEN (FR) 1989-06-01 WO disclosed
US-4689341-A Antiarrhythmic imidazoles SCHERING A.G. (DE) 1987-08-25 US disclosed
US-4613609-A Antiarrhythmic imidazoliums SCHERING A. G. (DE) 1986-09-23 US disclosed
US-4581370-A Antiarrhythmic imidazoliums SCHERING A.G. (DE) 1986-04-08 US disclosed
EP-0131302-A2 Imidazolium salts, intermediates thereto and their use SCHERING AKTIENGESELLSCHAFT (DE) 1985-01-16 EP disclosed
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed
US-4210610-A CHLOROARYLHYDROXY SUBSTITUTED ACETYLENES GULF RESEARCH AND DEVELOPMENT COMPANY (US) 1980-07-01 US disclosed
EP-0004447-A2 Preparation of trifluoromethylphenols and novel trifluoromethylphenyl benzyl ether intermediates ELI LILLY AND COMPANY (US) 1979-10-03 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C TAAR1 197/4885HTR3E 1173/4885HTR3B 569/4885

“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.