SCHEMBL4873814

SCHEMBL4873814

CCCN(CCCCN1CCN(CCc2ccc(Cl)cc2)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
CCR2 P41597 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CCR5 P51681 2/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL4874227 0.85 NPC1 (0.34) ALDH1A1LMNAGAASMN1; SMN2NPC1
SCHEMBL4874295 0.85 LMNA (0.40) KCNH2CCR2ALDH1A1LMNAHTT
SCHEMBL4876195 0.84 KCNH2 (0.43) KCNH2CCR2KMT2AMEN1ALDH1A1
SCHEMBL4876330 0.83 POLB (0.37) KMT2AMEN1ALDH1A1RAB9AADAMTS5
SCHEMBL4865392 0.83 KDM2B (0.35) KCNJ1KCNH2CCR2KMT2AMEN1
SCHEMBL4866722 0.82 POLB (0.36) KMT2AMEN1ALDH1A1RAB9AADAMTS5
SCHEMBL4875053 0.82 SMN1; SMN2 (0.33) PKMALDH1A1LMNAGAAHTT
SCHEMBL4870357 0.82 ALDH1A1 (0.38) CCR2KMT2AMEN1ALDH1A1LMNA
SCHEMBL4875582 0.81 CCR5 (0.36) ALDH1A1NPC1CCR5ADAMTS5
SCHEMBL7083990 0.81 ADAMTS5 (0.33) ALDH1A1LMNASMN1; SMN2CCR5ADAMTS5

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
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP 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
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 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-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 KCNJ1 1672/4885KCNH2 574/4885CCR2 179/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KCNJ1 1463/4885KCNH2 542/4885CCR2 180/4885

“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.