SCHEMBL6478004

SCHEMBL6478004

CCC(N)Cc1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
SLC6A4 P31645 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
EPHX1 P07099 1/20 0.42
PNMT P11086 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL30641041 0.83 TAAR1 (0.55) TAAR1IDO1AGXTCYP1A2CYP2D6
SCHEMBL21187234 0.83 TAAR1 (0.55) TAAR1IDO1AGXTCYP1A2CYP2D6
SCHEMBL30174362 0.82 PNMT (0.60) TAAR1IDO1AGXTSLC6A4SIGMAR1
SCHEMBL21583913 0.82 PNMT (0.60) TAAR1IDO1AGXTSLC6A4SIGMAR1
SCHEMBL7473544 0.82 PNMT (0.60) TAAR1IDO1AGXTSLC6A4SIGMAR1
SCHEMBL30457687 0.82 PNMT (0.60) TAAR1IDO1AGXTSLC6A4SIGMAR1
SCHEMBL552963 0.82 TAAR1 (0.55) TAAR1IDO1AGXTCYP1A2CYP2D6
SCHEMBL1177558 0.81 TAAR1 (0.48) TAAR1IDO1AGXTSLC6A4SIGMAR1
SCHEMBL4853320 0.81 TAAR1 (0.48) TAAR1IDO1AGXTSLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL30559563 0.81 PNMT (0.58) TAAR1IDO1AGXTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927228-B2 Biphenyl compounds usefuf in treatment of human and veterinary medicines such as dermatology, cardivovascular diseases, immune diseases or diseases associated with lipid metabolisms, or in cosmetic formulation GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-09 US disclosed
US-20040039038-A1 Biaromatic compound activators of PPARy-type receptors GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-26 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-20040039038-A1 Biaromatic compound activators of PPARy-type receptors PPARG, PPARA, PPARD TAAR1 781/4885IDO1 313/4885AGXT 1497/4885

“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.