SCHEMBL4185685

SCHEMBL4185685

COc1cccc(OC)c1CN1CCC(=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.61
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CACNA1B Q00975 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL6404984 0.82 MEN1 (0.62) TACR1MEN1KMT2A
SCHEMBL10210891 0.81 MEN1 (0.56) MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL6495394 0.79 MAPK1 (0.49) TACR1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL6483885 0.78 MAPK1 (0.48) TACR1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL6411067 0.77 TACR1 (1.00) TACR1
SCHEMBL4187783 0.75 MEN1 (0.48) TACR1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL21651001 0.74 POLB (0.57) MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL27471147 0.74 S1PR5 (0.51) MEN1KMT2AL3MBTL1
SCHEMBL4882169 0.74 CYP2A13 (0.61) MEN1KMT2AL3MBTL1
SCHEMBL8107710 0.74 CYP2A13 (0.61) MEN1KMT2AL3MBTL1

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
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
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 TACR1 38/4885MAPK1 1658/4885SMN1; SMN2 3206/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 TACR1 52/4885MAPK1 2433/4885SMN1; SMN2 2707/4885

“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.