SCHEMBL4933342

SCHEMBL4933342

Fc1cccc(CBr)c1.[Zn]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.54
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
MIF P14174 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 1/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A3 Q01959 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL3830 0.98
SCHEMBL30361126 0.98
SCHEMBL1538139 0.95 TAAR1 (0.54) TAAR1IDO1AGXTMIFALDH1A1
SCHEMBL28907892 0.89 TAAR1 (0.48) TAAR1IDO1AGXTMIFALDH1A1
SCHEMBL28178473 0.87 TAAR1 (0.47) TAAR1IDO1AGXTMIFALDH1A1
SCHEMBL11432662 0.85 TAAR1 (0.55) TAAR1IDO1AGXTALDH1A1TRPA1
SCHEMBL20815567 0.84 IDO1 (0.47) TAAR1IDO1AGXTMIFALDH1A1
SCHEMBL5972931 0.82 TRPA1 (0.45) TAAR1IDO1AGXTMIFALDH1A1
SCHEMBL10876546 0.80 MAOB (0.46) TAAR1IDO1AGXTALDH1A1TSHR
SCHEMBL4244595 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859546-B2 Picolinamide inhibitors of kinases ABBVIE INC. (US) 2014-10-14 US disclosed
EP-2665711-A1 PICOLINAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 EP disclosed
CN-102770415-A Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-11-07 CN disclosed
CN-102656168-A Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2012-09-05 CN disclosed
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 US disclosed
WO-2012100135-A1 PICOLINAMIDE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B TAAR1 110/4885IDO1 267/4885AGXT 1518/4885
US-20120190681-A1 PICOLINAMIDE INHIBITORS OF KINASES ALK, PKN2, ERBB2 TAAR1 1281/4885IDO1 2470/4885AGXT 2711/4885

“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.