SCHEMBL4983555

SCHEMBL4983555

O=C1CC(Cc2ccccc2)N(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.62
TACR3 P29371 1/20 0.49
USP2 O75604 4/20 0.46
ABCB1 P08183 1/20 0.45
MITF O75030 1/20 0.43
CYP3A4 P08684 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
OPRD1 P41143 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
SCHEMBL730772 0.89 TACR1 (0.66) TACR1TACR3USP2ABCB1MITF
SCHEMBL7684256 0.81 TACR1 (0.55) TACR1TACR3USP2CYP3A4TSHR
SCHEMBL22901699 0.79 TACR1 (0.71) TACR1TACR3RHOCRHOA
SCHEMBL14217474 0.78 TACR1 (0.61) TACR1TACR3USP2ABCB1MITF
SCHEMBL9112230 0.77 TACR1 (0.78) TACR1TACR3USP2RHOCRHOA
SCHEMBL7823087 0.77 TACR1 (0.66) TACR1TACR3USP2MITF
SCHEMBL9113036 0.77 TACR1 (0.78) TACR1TACR3USP2RHOCRHOA
SCHEMBL8480058 0.77 CA1 (0.66) TACR1TACR3
SCHEMBL13818185 0.76 TACR1 (0.77) TACR1TACR3USP2RHOCRHOA
Hydrochloric Acid SCHEMBL8475576 0.76 TACR1 (0.64) TACR1TACR3USP2MITF

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 28/4885TACR3 514/4885USP2 4246/4885

“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.