SCHEMBL4863300

SCHEMBL4863300

CC(Cc1ccc(S(C)(=O)=O)cc1)C(C)NCCCCN1CCCN(S(=O)(=O)CCNCCc2ccccc2)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
ADRB2 P07550 5/20 0.33
ADRB1 P08588 5/20 0.33
ADRB3 P13945 5/20 0.33
CCR2 P41597 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.31
CTSK P43235 1/20 0.31
SIGMAR1 Q99720 4/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4876321 0.93 CD274 (0.34) CCR2CTSKMEN1KMT2A
SCHEMBL4870394 0.87 KMT2A (0.31) TSHRMEN1KMT2A
SCHEMBL4863294 0.84 CYP2D6 (0.34) CA12CA1CA2CA4ADRB2
SCHEMBL4874460 0.79 ACHE (0.33) CA12CA1CA2CA4ADRB2
SCHEMBL4876317 0.77 CD274 (0.35) CCR2MEN1KMT2A
SCHEMBL4870351 0.73 CYP2D6 (0.31) MEN1KMT2A
SCHEMBL4875031 0.73 CYP3A4 (0.31) ADRB2TSHRCHRM1
SCHEMBL6171185 0.73 CCR2 (0.34) CCR2TSHRCHRM5CHRM1KMT2A
SCHEMBL4871446 0.72 CCR5 (0.35) MAPTSIGMAR1MEN1KMT2A
SCHEMBL4875372 0.71 CYP2D6 (0.31) MEN1KMT2A

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 CA12 2844/4885CA1 1838/4885CA2 1435/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CA12 2783/4885CA1 1390/4885CA2 1251/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CA12 2783/4885CA1 1390/4885CA2 1251/4885

“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.