SCHEMBL6441173

SCHEMBL6441173

Cc1ccc([C@H]2CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC[C@H]2N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.42
RHOA P61586 10/20 0.42
RHOC P08134 4/20 0.42
TACR2 P21452 1/20 0.41
HIF1A Q16665 1/20 0.40
PROKR1 Q8TCW9 5/20 0.39
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 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
SCHEMBL7249497 1.00 TACR1 (0.42) TACR1RHOARHOCTACR2HIF1A
SCHEMBL6440987 0.90 RHOA (0.53) TACR1RHOARHOCTACR2PROKR1
SCHEMBL6439957 0.90 RHOA (0.44) TACR1RHOARHOCUSP2CYP3A4
SCHEMBL5803460 0.90 RHOA (0.44) TACR1RHOARHOCUSP2CYP3A4
SCHEMBL5803870 0.90 HIF1A (0.47) TACR1RHOARHOCHIF1APROKR1
SCHEMBL5918091 0.88 TACR1 (0.43) TACR1RHOARHOCHIF1APROKR1
SCHEMBL6442864 0.87 TACR1 (0.43) TACR1RHOARHOCTACR2HIF1A
SCHEMBL6442869 0.87 TACR1 (0.43) TACR1RHOARHOCTACR2HIF1A
SCHEMBL6443375 0.87 TACR1 (0.49) TACR1RHOARHOCTACR2HIF1A
SCHEMBL7251202 0.87 TACR1 (0.49) TACR1RHOARHOCTACR2HIF1A

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 1/4885RHOA 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.