SCHEMBL4876872

SCHEMBL4876872

CCN(CCCCN1CCN(C(=O)N2CCOCC2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.44
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.34
PLA2G2A P14555 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DPP4 P27487 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL4874299 0.93 AKR1C3 (0.44) AKR1C3POLBALDH1A1TSHRL3MBTL1
SCHEMBL6095522 0.84 GPR119 (0.43)
SCHEMBL4875247 0.82 CYP3A4 (0.34) ALDH1A1TSHR
SCHEMBL4872326 0.82 CYP3A4 (0.34) ALDH1A1TSHRPKMSMN1; SMN2
SCHEMBL4875121 0.82 CYP2D6 (0.36) ALDH1A1TSHRPKMSMN1; SMN2
SCHEMBL27474179 0.82 AKR1C3 (0.42) AKR1C3POLBALDH1A1TSHRL3MBTL1
SCHEMBL4876887 0.81 SIRT2 (0.36) ALDH1A1TSHRPLA2G2ASMN1; SMN2
SCHEMBL4870213 0.81 CYP3A4 (0.33) ALDH1A1TSHRPLA2G2ASMN1; SMN2
SCHEMBL4877377 0.81 KMT2A (0.34) ALDH1A1TSHRL3MBTL1PKMSMN1; SMN2
SCHEMBL4866697 0.80 KCNH2 (0.33) TSHRRAB9ADPP4

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 AKR1C3 748/4885POLB 4496/4885ALDH1A1 2504/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 AKR1C3 535/4885POLB 4520/4885ALDH1A1 1684/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 AKR1C3 535/4885POLB 4520/4885ALDH1A1 1684/4885

“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.