SCHEMBL3602084

SCHEMBL3602084

FC(F)(F)c1cccc(C[Zn]Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
IDO1 P14902 2/20 0.55
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
ACP3 P15309 1/20 0.51
MIF P14174 2/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAOB P27338 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
TSHR P16473 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
SCHEMBL2124661 0.80 TAAR1 (0.56) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL14423479 0.79 TAAR1 (0.60) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL29355355 0.79 TAAR1 (0.60) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL4567 0.79 TAAR1 (0.60) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL3237564 0.79 TAAR1 (0.64) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL5103155 0.79 TAAR1 (0.64) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL23927281 0.78 TAAR1 (0.58) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL11027533 0.78 TAAR1 (0.58) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL2008094 0.78 TAAR1 (0.58) TAAR1IDO1HTR2AHTR2BHTR2C
SCHEMBL46757 0.77 HTR2A (0.63) TAAR1IDO1HTR2AHTR2BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
EP-2137162-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 EP disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 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 267/4885HTR2A 2/4885
US-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL TAAR1 3136/4885IDO1 3858/4885HTR2A 4363/4885

“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.