SCHEMBL4188315

SCHEMBL4188315

c1ccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 1.00
NPC1 O15118 1/20 0.71
MTOR P42345 1/20 0.71
RAB9A P51151 1/20 0.71
TP53 P04637 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
TSHR P16473 1/20 0.71
THPO P40225 1/20 0.71
MRGPRX1 Q96LB2 1/20 0.67

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
SCHEMBL6135549 1.00 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL6135372 1.00 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL9321839 1.00 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL28861521 1.00 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL9321845 1.00 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL28229229 1.00 TACR1 (1.00) TACR1NPC1MTORRAB9ATP53
SCHEMBL9324171 0.93 TACR1 (0.86) TACR1NPC1MTORRAB9ATP53
SCHEMBL9324180 0.93 TACR1 (0.86) TACR1NPC1MTORRAB9ATP53
SCHEMBL9324183 0.93 TACR1 (0.86) TACR1NPC1MTORRAB9ATP53
SCHEMBL8885458 0.92 TACR1 (0.85) TACR1NPC1MTORRAB9ATP53

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551833-A1 PROCESS FOR THE PREPARATION OF (S,S)-CIS-2-BENZHYDRYL-3-BENZYLAMINOQUINUCLIDINE Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-6861526-B2 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. (US) 2005-03-01 US claimed
US-20040116704-A1 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. 2004-06-17 US claimed
WO-2004035575-A1 PROCESS FOR THE PREPARATION OF (S,S)-CIS-2-BENZHYDRYL-3-BENZYLAMINOQUINUCLIDINE PFIZER PRODUCTS, INC. (US) 2004-04-29 WO claimed
EP-1713504-B1 ANTIMICROBIAL PRESERVATIVES TO ACHIEVE MULTI-DOSE FORMULATION USING BETA-CYCLODEXTRINS FOR LIQUID DOSAGE FORMS ZOETIS SERVICES LLC (US) 2017-06-07 EP disclosed
US-8183230-B2 Antimicrobial preservatives to achieve multi-dose formulation using beta-cyclodextrins for liquid dosage forms PFIZER INC. (US) 2012-05-22 US disclosed
US-8183230-B2 Antimicrobial preservatives to achieve multi-dose formulation using beta-cyclodextrins for liquid dosage forms PFIZER INC. (US) 2012-05-22 US disclosed
US-20090099364-A1 Process for preparation of 1-(2s,3s)-2-benzhydryl-n-(5- tert-butyl-2-methoxybenzyl)quinuclidin-3-amine PFIZER INC. 2009-04-16 US disclosed
US-20090099364-A1 Process for preparation of 1-(2s,3s)-2-benzhydryl-n-(5- tert-butyl-2-methoxybenzyl)quinuclidin-3-amine PFIZER INC. 2009-04-16 US disclosed
US-20090099364-A1 Process for preparation of 1-(2s,3s)-2-benzhydryl-n-(5- tert-butyl-2-methoxybenzyl)quinuclidin-3-amine PFIZER INC. 2009-04-16 US disclosed
CN-100418964-C Preparation method of (S, S) -cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER PROD INC (US) 2008-09-17 CN disclosed
CN-100418964-C Preparation method of (S, S) -cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER PROD INC (US) 2008-09-17 CN disclosed
US-6861526-B2 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. (US) 2005-03-01 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
US-6861526-B2 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. (US) 2005-03-01 US disclosed
US-20040116704-A1 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. 2004-06-17 US disclosed
US-20040116704-A1 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. 2004-06-17 US 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
WO-2004035575-A1 PROCESS FOR THE PREPARATION OF (S,S)-CIS-2-BENZHYDRYL-3-BENZYLAMINOQUINUCLIDINE PFIZER PRODUCTS, INC. (US) 2004-04-29 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-20090099364-A1 Process for preparation of 1-(2s,3s)-2-benzhydryl-n-(5- tert-butyl-2-methoxybenzyl)quinuclidin-3-amine CS, GATD3, AQP1 TACR1 636/4885NPC1 1136/4885MTOR 2073/4885

“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.