SCHEMBL6440448

SCHEMBL6440448

CN1CCN(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2c2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RHOA P61586 8/20 0.54
RHOC P08134 7/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.46
MGLL Q99685 3/20 0.45
PROKR1 Q8TCW9 2/20 0.44
POLB P06746 1/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
TAC3 Q9UHF0 1/20 0.41

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
SCHEMBL6440979 0.91 RHOA (0.55) RHOARHOCMEN1KMT2AMGLL
SCHEMBL5918148 0.91 TACR1 (0.47) RHOARHOCHIF1ATACR2TACR1
SCHEMBL5803870 0.91 HIF1A (0.47) RHOARHOCHIF1APROKR1TACR1
SCHEMBL5802584 0.91 TACR1 (0.47) RHOARHOCHIF1ATACR2TACR1
SCHEMBL6439052 0.91 RHOA (0.57) RHOARHOCMEN1KMT2AMGLL
SCHEMBL5918141 0.91 RHOA (0.57) RHOARHOCMEN1KMT2AMGLL
SCHEMBL5800189 0.90 HIF1A (0.47) RHOARHOCHIF1ATACR1
SCHEMBL5918122 0.90 HIF1A (0.47) RHOARHOCHIF1ATACR1
SCHEMBL6440987 0.89 RHOA (0.53) RHOARHOCMEN1KMT2AMGLL
SCHEMBL5802899 0.89 RHOA (0.54) RHOARHOCMEN1KMT2AMGLL

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 RHOA 4345/4885RHOC 3239/4885MEN1 2048/4885

“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.