SCHEMBL5203589

SCHEMBL5203589

c1ccc(CNC2C3CCN(CC3)C2Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.69
CHRNA7 P36544 4/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 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
SCHEMBL9322896 0.85 TACR1 (0.60) TACR1CHRNA7CHRNB2CHRNA4
SCHEMBL9322906 0.85 TACR1 (0.60) TACR1CHRNA7CHRNB2CHRNA4
SCHEMBL9322903 0.85 TACR1 (0.60) TACR1CHRNA7CHRNB2CHRNA4
SCHEMBL9767363 0.84 TACR1 (0.53) TACR1CHRNA7CHRNB2CHRNA4
SCHEMBL9323198 0.83 TACR1 (0.60) TACR1
SCHEMBL9322808 0.83 TACR1 (0.60) TACR1
SCHEMBL9321890 0.82 TACR1 (0.56) TACR1
Hydrochloric Acid SCHEMBL9323145 0.82 TACR1 (0.56) TACR1
SCHEMBL9324189 0.80 TACR1 (0.53) TACR1CHRNA7CHRNB2CHRNA4
SCHEMBL28838840 0.79 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299100-B1 METHOD OF TREATING HOT FLASHES, USING TACHYKININ RECEPTOR ANTAGONIST UNIV ROCHESTER (US) 2007-07-25 EP disclosed
EP-1551833-A1 PROCESS FOR THE PREPARATION OF (S,S)-CIS-2-BENZHYDRYL-3-BENZYLAMINOQUINUCLIDINE Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20050085641-A1 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. 2005-04-21 US disclosed
US-6861526-B2 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. (US) 2005-03-01 US disclosed
EP-1299100-A4 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES, USING TACHYKININ RECEPTOR ANTAGONIST UNIV ROCHESTER (US) 2005-01-12 EP disclosed
US-20040116704-A1 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. 2004-06-17 US disclosed
WO-2004035575-A1 PROCESS FOR THE PREPARATION OF (S,S)-CIS-2-BENZHYDRYL-3-BENZYLAMINOQUINUCLIDINE PFIZER PRODUCTS, INC. (US) 2004-04-29 WO disclosed
US-20030236237-A1 Method of treating symptoms of hormonal variation, including hot flashes, using tachykinin receptor antagonist GUTTUSO THOMAS J (US) 2003-12-25 US disclosed
EP-1299100-A1 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES, USING TACHYKININ RECEPTOR ANTAGONIST THE UNIVERSITY OF ROCHESTER (US) 2003-04-09 EP disclosed
US-20020016283-A1 Method of treating symptoms of hormonal variation, including hot flashes, using tachykinin receptor antagonist UNIVERSITY OF ROCHESTER 2002-02-07 US disclosed
WO-2001095904-A1 METHOD OF TREATING SYMPTOMS OF HORMONAL VARIATION, INCLUDING HOT FLASHES, USING TACHYKININ RECEPTOR ANTAGONIST UNIVERSITY OF ROCHESTER (US) 2001-12-20 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-20050085641-A1 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine BCKDK, SRM, SKP1 TACR1 1140/4885CHRNA7 835/4885CHRNB2 1531/4885

“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.