SCHEMBL4187783

SCHEMBL4187783

COc1cccc(OC)c1CN1CCC(N)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CACNA1B Q00975 2/20 0.47
HTR7 P34969 2/20 0.46
GNAI3 P08754 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
TACR1 P25103 2/20 0.44
CACNA1C Q13936 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL15021067 0.88 SLC6A12 (0.48) MEN1KMT2ACACNA1BMAPK1L3MBTL1
SCHEMBL9911770 0.87 CACNA1B (0.42) MEN1KMT2ACACNA1BHTR7GNAI3
SCHEMBL4181293 0.84 CXCR4 (0.50) MEN1KMT2ACACNA1BHTR7GNAI3
SCHEMBL8110360 0.83 CHRM3 (0.66) MEN1KMT2AGNAI3CHRM2CHRM4
SCHEMBL6941984 0.83 CHRM3 (0.66) MEN1KMT2AGNAI3CHRM2CHRM4
SCHEMBL4205973 0.82 CACNA1B (0.39) MEN1KMT2ACACNA1BHTR7GNAI3
SCHEMBL19311968 0.82 CACNA1B (0.52) MEN1KMT2ACACNA1BHTR7GNAI3
SCHEMBL13100266 0.81 CACNA1B (0.54) MEN1KMT2ACACNA1BHTR7GNAI3
Hydrochloric Acid SCHEMBL11539098 0.81 CHRM3 (0.64) MEN1KMT2AGNAI3CHRM2CHRM4
SCHEMBL4179255 0.81 MEN1 (0.50) MEN1KMT2ACACNA1BHTR7GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US disclosed
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US disclosed
EP-1644356-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS Theravance, Inc. (US) 2006-04-12 EP disclosed
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US disclosed
WO-2005007645-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS THERAVANCE, INC. (US) 2005-01-27 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-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 MEN1 2797/4885KMT2A 1876/4885CACNA1B 772/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 MEN1 3124/4885KMT2A 1329/4885CACNA1B 642/4885

“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.