SCHEMBL4876049

SCHEMBL4876049

CC(Cc1ccc(Br)cc1)C(C)NCCCCN1CCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SOAT2 O75908 1/20 0.37
SOAT1 P35610 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 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
SCHEMBL4875416 0.87 MEN1 (0.44) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4871367 0.81 HPGD (0.50) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4864771 0.81 L3MBTL1 (0.40) KMT2ARAB9ALMNA
SCHEMBL4873675 0.79 HTR2A (0.43) KMT2APOLBALDH1A1
SCHEMBL4875549 0.78 RAB9A (0.41) KMT2ARAB9AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4874186 0.77 RAB9A (0.40) KMT2ARAB9AMEN1SOAT2SOAT1
SCHEMBL4875948 0.77 RAB9A (0.32) RAB9A
SCHEMBL4866656 0.76 NPC1 (0.40) KMT2ARAB9AMEN1SMN1; SMN2MALT1
SCHEMBL4876485 0.75 MEN1 (0.36) KMT2ARAB9AMEN1HTTSMN1; SMN2
SCHEMBL4870337 0.75 MALT1 (0.38) KMT2APOLBTDP1SMN1; SMN2ALDH1A1

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 KMT2A 1941/4885POLB 4496/4885TDP1 4153/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885POLB 4520/4885TDP1 3835/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885POLB 4520/4885TDP1 3835/4885

“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.