SCHEMBL6442869

SCHEMBL6442869

Cc1ccc(C2CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC2N2CCSCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.43
RHOA P61586 9/20 0.43
RHOC P08134 4/20 0.43
HPGD P15428 1/20 0.42
PROKR1 Q8TCW9 6/20 0.39
HIF1A Q16665 1/20 0.39
TACR2 P21452 1/20 0.38
TAC3 Q9UHF0 1/20 0.38

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
SCHEMBL6442864 1.00 TACR1 (0.43) TACR1RHOARHOCHPGDPROKR1
SCHEMBL6440396 0.90 RHOA (0.54) TACR1RHOARHOCHPGDPROKR1
SCHEMBL6440398 0.90 RHOA (0.54) TACR1RHOARHOCHPGDPROKR1
SCHEMBL6440429 0.90 TACR1 (0.44) TACR1RHOARHOC
SCHEMBL6440434 0.90 TACR1 (0.44) TACR1RHOARHOC
SCHEMBL5918091 0.89 TACR1 (0.43) TACR1RHOARHOCPROKR1HIF1A
SCHEMBL5803870 0.89 HIF1A (0.47) TACR1RHOARHOCPROKR1HIF1A
SCHEMBL6439613 0.87 RHOA (0.42) TACR1RHOARHOCPROKR1HIF1A
SCHEMBL7249497 0.87 TACR1 (0.42) TACR1RHOARHOCPROKR1HIF1A
SCHEMBL6441173 0.87 TACR1 (0.42) TACR1RHOARHOCPROKR1HIF1A

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-1360184-B1 PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
EP-1360184-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-12 EP disclosed
US-6642226-B2 Such as cis-(3,5-bis-trifluoromethyl-phenyl)-(4-(4-methyl-piperazin-1-yl),-3-phenyl -piperidin-1-yl)-methanone; for treatment of diseases related to neurokinin receptors HOFFMAN-LA ROCHE INC. 2003-11-04 US disclosed
US-20020151547-A1 Substituted phenyl-piperidine methanone compounds F.HOFFMANN-LA ROCHE AG (CH) 2002-10-17 US disclosed
WO-2002062784-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-15 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 (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-20020151547-A1 Substituted phenyl-piperidine methanone compounds TACR1, OPRK1, TACR2 TACR1 1/4885RHOA 4345/4885RHOC 3239/4885

“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.