SCHEMBL6443375

SCHEMBL6443375

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](N2CCS(=O)(=O)CC2)[C@@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.49
TACR2 P21452 9/20 0.49
TAC3 Q9UHF0 1/20 0.49
RHOA P61586 6/20 0.45
RHOC P08134 5/20 0.45
TACR3 P29371 2/20 0.44
CNR1 P21554 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL7251202 1.00 TACR1 (0.49) TACR1TACR2TAC3RHOARHOC
SCHEMBL6440987 0.91 RHOA (0.53) TACR1TACR2TAC3RHOARHOC
SCHEMBL6444073 0.88 TACR2 (0.49) TACR1TACR2TAC3RHOARHOC
SCHEMBL6444077 0.88 TACR2 (0.49) TACR1TACR2TAC3RHOARHOC
SCHEMBL6440351 0.88 TACR2 (0.49) TACR1TACR2TAC3RHOARHOC
SCHEMBL6440354 0.88 TACR2 (0.49) TACR1TACR2TAC3RHOARHOC
SCHEMBL7249497 0.87 TACR1 (0.42) TACR1TACR2RHOARHOCHIF1A
SCHEMBL6441173 0.87 TACR1 (0.42) TACR1TACR2RHOARHOCHIF1A
SCHEMBL5803460 0.87 RHOA (0.44) TACR1RHOARHOC
SCHEMBL6439957 0.87 RHOA (0.44) TACR1RHOARHOC

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
EP-1360184-B1 PIPERIDINE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-03-30 EP 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 TACR1 1/4885TACR2 3/4885TAC3 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.