SCHEMBL6135838

SCHEMBL6135838

c1ccc(C(c2ccccc2)c2ccccc2CNC2CN3CCC2CC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.41
TACR1 P25103 4/20 0.40
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL5203595 0.77 GAA (0.65) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL4962589 0.77 GAA (0.68) GAASMN1; SMN2MEN1KMT2ACHRNB4
SCHEMBL3932594 0.76 GAA (0.70) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL5802421 0.74 GAA (0.61) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL7955416 0.74 GAA (0.64) GAAMEN1KMT2ATACR1
SCHEMBL5127058 0.74 GAA (0.64) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL8252682 0.71 GAA (0.68) GAASMN1; SMN2MEN1KMT2ACHRNA7
SCHEMBL3434676 0.68 GAA (0.56) GAASMN1; SMN2MEN1KMT2ACHRNB4
SCHEMBL6014519 0.68 CHRNB4 (0.55) GAACHRNB4CHRNA3CHRNA7
SCHEMBL9371575 0.68 CHRNB4 (0.55) GAACHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108341812-A A kind of preparation method containing quinuclidine compounds 科贝源(北京)生物医药科技有限公司 2018-07-31 CN 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 (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 GAA 2403/4885SMN1; SMN2 1601/4885MEN1 3217/4885

“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.