SCHEMBL6448740

SCHEMBL6448740

O=C(c1ccccc1)N1CCC[C@](CCCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.74
TACR1 P25103 12/20 0.74
TACR3 P29371 8/20 0.74
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
CCR5 P51681 4/20 0.71
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL6699201 1.00 TACR2 (0.74) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6699197 1.00 TACR2 (0.74) TACR2TACR1TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7086354 0.99 TACR2 (0.73) TACR2TACR1TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7086355 0.99 TACR2 (0.73) TACR2TACR1TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6448448 0.99 TACR2 (0.73) TACR2TACR1TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL31224123 0.99 TACR2 (0.73) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6544542 0.90 TACR2 (0.71) TACR2TACR1TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6543127 0.90 TACR2 (0.70) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6449071 0.90 TACR2 (0.72) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL7311062 0.88 TACR2 (0.64) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US claimed
US-20030073838-A1 3-alkyl-3-phenyl-piperidines CHEN MICHAEL HUAI GU (US) 2003-04-17 US claimed
EP-1192952-A2 Combination, for treating depression and anxiety, containing an NK-3 receptor antagonist and a CNS penetrant NK-1 receptor antagonist Pfizer Products Inc. (US) 2002-04-03 EP claimed
US-20010037023-A1 3-alkyl-3-phenyl-piperidines CHEN MICHAEL HUAI GU (US) 2001-11-01 US claimed
WO-1998011090-A2 3-ALKYL-3-PHENYL-PIPERIDINES WARNER-LAMBERT COMPANY (US) 1998-03-19 WO claimed
EP-1492536-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-05 EP disclosed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US disclosed
WO-2003082290-A1 4-(N-PHENYLAMINO)-QUINAZOLINES / QUINOLINES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-09 WO disclosed
US-6602886-B2 3-alkyl-3-phenyl-piperidines WARNER-LAMBERT COMPANY 2003-08-05 US disclosed
US-20030073838-A1 3-alkyl-3-phenyl-piperidines CHEN MICHAEL HUAI GU (US) 2003-04-17 US disclosed
US-6433178-B2 ALKYL PYRIMIDINES SUBSTITUTED PIPERIDINE DERIVATIVES ARE USED AS TACHYKININ ANTAGONSIT, USEFUL IN THE TREATMENT OF PAIN, DEPRESSION, ANXIETY, PANIC, SCHIZOPHRENIA, NEURALGIA, ADDICTION DISORDER, INFLAMMATION, AND NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2002-08-13 US disclosed
US-20010037023-A1 3-alkyl-3-phenyl-piperidines CHEN MICHAEL HUAI GU (US) 2001-11-01 US disclosed
US-6040316-A TACHYKININ ANTAGONISTS TREATING PAIN, DEPRESSION, ANXIETY, PANIC, SCHIZOPHRENIA, NEURALGIA, ADDICTION DISORDERS, INFLAMMATORY DISEASES, GASTROINTESTINAL DISORDERS, VASCULAR DISORDERS, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 2000-03-21 US disclosed
WO-1998011090-A2 3-ALKYL-3-PHENYL-PIPERIDINES WARNER-LAMBERT COMPANY (US) 1998-03-19 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 (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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A TACR2 7/4885TACR1 1/4885TACR3 86/4885
US-20010037023-A1 3-alkyl-3-phenyl-piperidines TAC3, KCNK3, ACKR3 TACR2 10/4885TACR1 21/4885TACR3 22/4885
US-20030073838-A1 3-alkyl-3-phenyl-piperidines TAC3, KCNK3, ACKR3 TACR2 10/4885TACR1 21/4885TACR3 22/4885

“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.