SCHEMBL4866656

SCHEMBL4866656

CCC(NCCCCN1CCCCC1=O)C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
MITF O75030 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
LMNA P02545 1/20 0.34

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 0.89 MEN1 (0.44) NPC1MEN1KMT2ARAB9ASIGMAR1
SCHEMBL4868919 0.89 TRPV1 (0.34) NPC1MEN1KMT2ARAB9ASIGMAR1
SCHEMBL4875549 0.88 RAB9A (0.41) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4874186 0.87 RAB9A (0.40) MEN1KMT2ARAB9ASOAT2SOAT1
SCHEMBL4870536 0.85 TRPV1 (0.32) SIGMAR1TRPV1
SCHEMBL4875631 0.83 SIGMAR1 (0.42) KMT2ARAB9ASIGMAR1SMN1; SMN2SOAT2
SCHEMBL4870303 0.82 RAB9A (0.40) MEN1KMT2ARAB9ASOAT2SOAT1
SCHEMBL4871587 0.82 RAB9A (0.44) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4866775 0.81 KMT2A (0.49) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL4866751 0.81 HPGD (0.41) MEN1KMT2ARAB9ASMN1; SMN2

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 NPC1 1987/4885MEN1 1954/4885KMT2A 1941/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NPC1 1483/4885MEN1 1892/4885KMT2A 2014/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NPC1 1483/4885MEN1 1892/4885KMT2A 2014/4885

“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.