SCHEMBL6135225

SCHEMBL6135225

O=C1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 6/20 0.55
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CTSK P43235 1/20 0.40
GLA P06280 1/20 0.39
SLC18A3 Q16572 1/20 0.39
TACR1 P25103 3/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2781629 1.00 MRGPRX1 (0.55) MRGPRX1ALDH1A1POLBCHRNB4CHRNA3
SCHEMBL14364967 1.00 MRGPRX1 (0.55) MRGPRX1ALDH1A1POLBCHRNB4CHRNA3
SCHEMBL9325051 0.91 MRGPRX1 (0.48) MRGPRX1ALDH1A1POLBCTSKGLA
SCHEMBL5078507 0.90 MRGPRX1 (0.49) MRGPRX1CHRNB4CHRNA3SLC18A3TACR1
SCHEMBL700103 0.89 MRGPRX1 (0.46) MRGPRX1
Benzylamine SCHEMBL28553128 0.89 MRGPRX1 (0.55) MRGPRX1CTSKGLATACR1
SCHEMBL9322829 0.89 MRGPRX1 (0.47) MRGPRX1ALDH1A1POLB
SCHEMBL9322768 0.86 MRGPRX1 (0.44) MRGPRX1SLC18A3
SCHEMBL8802582 0.85 MRGPRX1 (0.43) MRGPRX1TACR1
SCHEMBL9322784 0.85 MRGPRX1 (0.43) MRGPRX1ALDH1A1POLB

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 16 patents. 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-20050085641-A1 Process for the preparation of (S,S)-cis-2-benzhydryl-3-benzylaminoquinuclidine PFIZER INC. 2005-04-21 US 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
CN-112557541-B Detection method of maropiptan citrate and related substances thereof 河北科技大学 2022-07-12 CN disclosed
CN-109320510-B Preparation method of Maropitan free base 江苏慧聚药业有限公司 2021-04-27 CN disclosed
CN-112557541-A Detection method of maropiptan citrate and related substances thereof 河北科技大学 2021-03-26 CN 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
EP-1713801-B1 PROCESS FOR PREPARATION OF 1-(2S,3S)-2-BENZHYDR YL-N-(5-TERT-BUTYL-2-METHOXYBENZYL)QUINUCLIDIN-3-AMINE PFIZER PROD INC (US) 2007-12-12 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MRGPRX1 4032/4885ALDH1A1 941/4885POLB 3007/4885
US-20090099364-A1 Process for preparation of 1-(2s,3s)-2-benzhydryl-n-(5- tert-butyl-2-methoxybenzyl)quinuclidin-3-amine CS, GATD3, AQP1 MRGPRX1 2986/4885ALDH1A1 690/4885POLB 806/4885

“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.