SCHEMBL4987212

SCHEMBL4987212

O=C1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(Cc2cc(F)cc(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.49
RHOC P08134 2/20 0.42
RHOA P61586 2/20 0.42
TACR3 P29371 1/20 0.40
HIF1A Q16665 1/20 0.36
USP2 O75604 4/20 0.35
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4987525 0.97 TACR1 (0.48) TACR1RHOCRHOATACR3HIF1A
SCHEMBL7684256 0.88 TACR1 (0.55) TACR1RHOCRHOATACR3USP2
SCHEMBL730772 0.87 TACR1 (0.66) TACR1RHOCRHOATACR3USP2
SCHEMBL7688875 0.86 TACR1 (0.49) TACR1RHOCRHOATACR3USP2
SCHEMBL12809194 0.83 OPRK1 (0.52) TACR1RHOCRHOATACR3OPRK1
SCHEMBL7864817 0.81 TACR1 (0.48) TACR1
SCHEMBL4983555 0.75 TACR1 (0.62) TACR1RHOCRHOATACR3USP2
SCHEMBL14217474 0.72 TACR1 (0.61) TACR1RHOCRHOATACR3USP2
SCHEMBL7862741 0.71 TACR1 (0.47) TACR1RHOCRHOAUSP2CYP2C9
SCHEMBL7462348 0.70 L3MBTL1 (0.54) TACR1RHOCRHOATACR3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
EP-1635833-A1 COMBINATIONS FOR OPIOID-BASED TREATMENT OF PAIN COMPRISING 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-22 EP disclosed
WO-2004110451-A1 COMBINATIONS FOR OPIOID-BASED TREATMENT OF PAIN COMPRISING 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-23 WO disclosed
US-6521621-B1 Tachykinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2003-02-18 US disclosed
US-RE37886-E1 1-(1,2-Disubstituted piperidinyl)-4-substituted piperazine derivatives JANSSEN PHARMACEUTICALS, N.V. (BE) 2002-10-15 US disclosed
US-6197772-B1 TACHYKININS ANTAGONIST; ANTIINFLAMMATION AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-06 US disclosed
EP-0862566-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-01-12 EP disclosed
EP-0862566-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-09-09 EP disclosed
WO-1997016440-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 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-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives OPRL1, OPRK1, OPRM1 TACR1 28/4885RHOC 3676/4885RHOA 4606/4885

“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.