SCHEMBL4158091

SCHEMBL4158091

CC(CN)c1cc(Br)cc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
HTR2A P28223 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL20145653 0.86 TAAR1 (0.41) TAAR1IDO1
SCHEMBL21184400 0.82 TAAR1 (0.59) TAAR1HTR2AHRH4HRH3
SCHEMBL3178484 0.79 TAAR1 (0.57) TAAR1HTR2AIDO1
SCHEMBL30176770 0.79 TAAR1 (0.57) TAAR1HTR2AIDO1
SCHEMBL2758514 0.78 ALDH1A1 (0.39) GABRA1GABRB1
Hydrochloric Acid SCHEMBL3176975 0.77 TAAR1 (0.55) TAAR1HTR2AIDO1
SCHEMBL14992081 0.77 TAAR1 (0.41) TAAR1HRH4HRH3
SCHEMBL20425554 0.76 TAAR1 (0.60) TAAR1HTR2A
SCHEMBL12378777 0.76 TAAR1 (0.60) TAAR1HTR2A
SCHEMBL15456512 0.76 ABCB11 (0.40) GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them ALVARO GIUSEPPE 2009-07-30 US disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US disclosed
EP-1622871-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-02-08 EP disclosed
WO-2004099143-A1 CYCLIC AMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2004-11-18 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 (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-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 TAAR1 13/4885HTR2A 116/4885GABRA1 1347/4885
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them SLC6A4, OPRL1, HCRTR1 TAAR1 64/4885HTR2A 65/4885GABRA1 825/4885

“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.