SCHEMBL5801840

SCHEMBL5801840

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2ccccc2)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RHOC P08134 6/20 0.59
RHOA P61586 6/20 0.59
MGLL Q99685 2/20 0.51
CCR5 P51681 1/20 0.48
USP2 O75604 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TACR1 P25103 5/20 0.46
TSHR P16473 1/20 0.46
TACR2 P21452 3/20 0.46

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
SCHEMBL6439778 1.00 RHOC (0.59) RHOCRHOAMGLLCCR5USP2
SCHEMBL6439775 1.00 RHOC (0.59) RHOCRHOAMGLLCCR5USP2
SCHEMBL5918157 1.00 RHOC (0.59) RHOCRHOAMGLLCCR5USP2
SCHEMBL6441435 0.93 RHOA (0.51) RHOCRHOAUSP2CYP3A4HSD17B10
SCHEMBL6441438 0.93 RHOA (0.51) RHOCRHOAUSP2CYP3A4HSD17B10
SCHEMBL6442803 0.92 RHOA (0.52) RHOCRHOAMGLLCCR5USP2
SCHEMBL6442802 0.92 RHOA (0.52) RHOCRHOAMGLLCCR5USP2
SCHEMBL6439855 0.91 TACR1 (0.53) RHOCRHOAUSP2CYP3A4HSD17B10
SCHEMBL6439853 0.91 TACR1 (0.53) RHOCRHOAUSP2CYP3A4HSD17B10
SCHEMBL6440065 0.88 RBP4 (0.50) RHOCRHOAMGLLUSP2CYP3A4

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 12 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 claimed
EP-1360184-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-12 EP claimed
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 claimed
US-20020151547-A1 Substituted phenyl-piperidine methanone compounds F.HOFFMANN-LA ROCHE AG (CH) 2002-10-17 US claimed
WO-2002062784-A1 PIPERIDINEE DERIVATIVES AS NEUROKININ 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-15 WO claimed
US-20060178348-A1 Compositions and therapeutic methods utilizing a combination of a protein extravasation inhibitor and an NSAID POZEN INC. (US) 2006-08-10 US disclosed
WO-2006081088-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A PROTEIN EXTRAVASATION INHIBITOR AND AN NSAID POZEN INC. (US) 2006-08-03 WO disclosed
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 (2 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-20060178348-A1 Compositions and therapeutic methods utilizing a combination of a protein extravasation inhibitor and an NSAID MMP8, CCL2, VCAM1 RHOC 828/4885RHOA 278/4885MGLL 1652/4885
US-20020151547-A1 Substituted phenyl-piperidine methanone compounds TACR1, OPRK1, TACR2 RHOC 3239/4885RHOA 4345/4885MGLL 4018/4885

“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.