SCHEMBL4873675

SCHEMBL4873675

COc1cc(CC(C)C(C)NCCCCN2CCCCC2=O)c(OC)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
POLB P06746 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
PGK1 P00558 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.37
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL4873666 0.79 HTR2A (0.45) HTR2APOLBTAAR1PGK1
SCHEMBL4876049 0.79 KMT2A (0.47) POLBALDH1A1KMT2A
SCHEMBL4871367 0.74 HPGD (0.50) TAAR1ALDH1A1KMT2A
SCHEMBL4875416 0.73 MEN1 (0.44) ALDH1A1KMT2A
SCHEMBL4870337 0.72 MALT1 (0.38) HTR2APOLBL3MBTL1ALDH1A1KMT2A
SCHEMBL6982739 0.70 BCHE (0.39) HTR2APOLBPGK1L3MBTL1ALDH1A1
SCHEMBL4874264 0.68 POLB (0.41) POLBPGK1L3MBTL1ALDH1A1KMT2A
SCHEMBL17788503 0.67 KMT2A (0.47) POLBALDH1A1KMT2A
SCHEMBL9668347 0.67 HTT (0.46) POLBL3MBTL1KMT2A
SCHEMBL4864771 0.66 L3MBTL1 (0.40) L3MBTL1KMT2A

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-7361648-B2 Heterocyclylakylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC (US) 2008-04-22 US disclosed
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC 2006-12-21 US disclosed
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-6667301-B2 Therapy for muscular disorders, urogenital disorders, gastrointestinal disorders, respiratory system disorders SYNTEX (U.S.A.) LLC 2003-12-23 US disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US 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 (3 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-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 HTR2A 238/4885POLB 4496/4885TAAR1 183/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HTR2A 199/4885POLB 4520/4885TAAR1 121/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HTR2A 199/4885POLB 4520/4885TAAR1 121/4885

“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.