SCHEMBL6693662

SCHEMBL6693662

O=C(c1ccccc1)N1CCCC(CCCCCCN2CCC(O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.74
TACR2 P21452 16/20 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 2/20 0.65
HRH1 P35367 1/20 0.49

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
SCHEMBL6468201 0.99 TACR1 (0.75) TACR1TACR2TACR3CYP3A4CYP2D6
SCHEMBL6448486 0.96 TACR1 (0.79) TACR1TACR2TACR3CYP3A4CYP2D6
SCHEMBL7090412 0.96 TACR1 (0.79) TACR1TACR2TACR3CYP3A4CYP2D6
SCHEMBL6449952 0.96 TACR1 (0.79) TACR1TACR2TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7086496 0.96 TACR1 (0.78) TACR1TACR2TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7086538 0.96 TACR1 (0.78) TACR1TACR2TACR3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6448714 0.96 TACR1 (0.78) TACR1TACR2TACR3CYP3A4CYP2D6
SCHEMBL8296401 0.93 TACR1 (0.71) TACR1TACR2TACR3CYP3A4CYP2D6
SCHEMBL6454727 0.91 TACR1 (0.72) TACR1TACR2TACR3CYP3A4CYP2D6
SCHEMBL7088837 0.91 TACR1 (0.72) TACR1TACR2TACR3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073838-A1 3-alkyl-3-phenyl-piperidines CHEN MICHAEL HUAI GU (US) 2003-04-17 US 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
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US 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 TACR1 1/4885TACR2 7/4885TACR3 86/4885
US-20010037023-A1 3-alkyl-3-phenyl-piperidines TAC3, KCNK3, ACKR3 TACR1 21/4885TACR2 10/4885TACR3 22/4885
US-20030073838-A1 3-alkyl-3-phenyl-piperidines TAC3, KCNK3, ACKR3 TACR1 21/4885TACR2 10/4885TACR3 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.