SCHEMBL6444077

SCHEMBL6444077

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(N2CCOCC2)C(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.49
TACR1 P25103 8/20 0.49
TAC3 Q9UHF0 1/20 0.49
RHOA P61586 7/20 0.46
RHOC P08134 5/20 0.46
TACR3 P29371 2/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL6444073 1.00 TACR2 (0.49) TACR2TACR1TAC3RHOARHOC
SCHEMBL6442216 0.93 RHOA (0.44) TACR2TACR1TAC3RHOARHOC
SCHEMBL6442215 0.93 RHOA (0.44) TACR2TACR1TAC3RHOARHOC
SCHEMBL5918142 0.90 RHOA (0.54) TACR1RHOARHOC
SCHEMBL5918143 0.90 RHOA (0.54) TACR1RHOARHOC
SCHEMBL6440354 0.89 TACR2 (0.49) TACR2TACR1TAC3RHOARHOC
SCHEMBL6440351 0.89 TACR2 (0.49) TACR2TACR1TAC3RHOARHOC
SCHEMBL7251202 0.88 TACR1 (0.49) TACR2TACR1TAC3RHOARHOC
SCHEMBL6443375 0.88 TACR1 (0.49) TACR2TACR1TAC3RHOARHOC
SCHEMBL5918094 0.87 TACR1 (0.45) TACR2TACR1RHOARHOCTACR3

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 3 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
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

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 TACR2 3/4885TACR1 1/4885TAC3 89/4885

“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.