SCHEMBL2990201

SCHEMBL2990201

CN(C)C(=O)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 10/20 0.56
TACR1 P25103 7/20 0.52
TACR3 P29371 5/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL4553408 1.00 TACR2 (0.56) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL29536190 1.00 TACR2 (0.56) TACR2TACR1TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4941130 0.99 TACR2 (0.55) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4935551 0.90 TACR2 (0.53) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4940930 0.90 TACR2 (0.56) TACR2TACR1TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4944052 0.89 TACR2 (0.52) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4944326 0.89 TACR2 (0.44) TACR2TACR1TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4941661 0.88 TACR2 (0.44) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4630653 0.85 TACR2 (0.54) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL4941672 0.85 TACR2 (0.41) TACR2TACR1TACR3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173879-A1 USE OF A COMPOUND ANTAGONIST TO THE NK2 RECEPTORS OF NEUROKININ A FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING OF SEXUAL DYSFUNCTION SANOFI-AVENTIS (FR) 2010-07-08 US claimed
EP-2131842-A2 USE OF A COMPOUND ANTAGONIST TO THE NK-2-RECEPTORS OF A NEUROKININE FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING SEXUAL DYSFUNCTION Sanofi-Aventis (FR) 2009-12-16 EP claimed
US-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2008-10-23 US claimed
WO-2008110697-A2 USE OF A COMPOUND ANTAGONIST TO THE NK2 RECEPTORS OF A NEUROKININE FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING SEXUAL DYSFUNCTION SANOFI-AVENTIS (FR) 2008-09-18 WO claimed
EP-1395582-B1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-05-04 EP claimed
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-09-16 US claimed
US-20210401821-A1 PROPHYLACTIC OR THERAPEUTIC AGENT AND MEDICINAL COMPOSITION FOR IL-31-MEDIATED DISEASE KINJO GAKUIN (JP) 2021-12-30 US disclosed
EP-3881843-A1 PROPHYLACTIC OR THERAPEUTIC AGENT AND MEDICINAL COMPOSITION FOR IL-31-MEDIATED DISEASE Kyushu University, National University Corporation (JP) 2021-09-22 EP disclosed
US-20100173879-A1 USE OF A COMPOUND ANTAGONIST TO THE NK2 RECEPTORS OF NEUROKININ A FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING OF SEXUAL DYSFUNCTION SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
EP-2131842-A2 USE OF A COMPOUND ANTAGONIST TO THE NK-2-RECEPTORS OF A NEUROKININE FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING SEXUAL DYSFUNCTION Sanofi-Aventis (FR) 2009-12-16 EP disclosed
US-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2008-10-23 US disclosed
WO-2008110697-A2 USE OF A COMPOUND ANTAGONIST TO THE NK2 RECEPTORS OF A NEUROKININE FOR THE PREPARATION OF DRUGS USEFUL FOR PREVENTING AND TREATING SEXUAL DYSFUNCTION SANOFI-AVENTIS (FR) 2008-09-18 WO disclosed
WO-2007088181-A1 NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-08-09 WO disclosed
EP-1395582-B1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-05-04 EP disclosed
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-09-16 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 (3 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-20080261976-A1 NOVEL PIPERIDINECARBOXAMIDE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TACR2, TACR1, KIT TACR2 1/4885TACR1 2/4885TACR3 73/4885
US-20210401821-A1 PROPHYLACTIC OR THERAPEUTIC AGENT AND MEDICINAL COMPOSITION FOR IL-31-MEDIATED DISEASE IL36G, IL1B, BDKRB2 TACR2 65/4885TACR1 42/4885TACR3 362/4885
US-20040180890-A1 Novel piperidinecarboxamide derivatives, method for preparing same and pharmaceutical compositions containing same KIT, TACR2, P2RX3 TACR2 2/4885TACR1 4/4885TACR3 80/4885

“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.