SCHEMBL4866737

SCHEMBL4866737

CCC(NCCCCN1CCNCCC1=O)C(C)Cc1ccc(OCC(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 1/20 0.34
POLB P06746 1/20 0.33
TRIM24 O15164 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
ACACB O00763 4/20 0.32
SOAT2 O75908 1/20 0.32
SOAT1 P35610 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL4872456 0.90 SMN1; SMN2 (0.39) KMT2AMEN1SMN1; SMN2ITGB3ITGA2B
SCHEMBL4873710 0.86 RAB9A (0.34) KMT2AMEN1SOAT2SOAT1RAB9A
SCHEMBL4868919 0.85 TRPV1 (0.34) KMT2AMEN1ALDH1A1TSHRNPC1
SCHEMBL4872375 0.84 POLB (0.32) KMT2ASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL4875204 0.84 HCRTR1 (0.36) KMT2AMEN1SOAT2SOAT1
SCHEMBL4877168 0.83 SLC6A4 (0.39) ITGB3ITGA2BSOAT2SOAT1RAB9A
SCHEMBL4863352 0.82 POLB (0.31) KMT2APOLBALDH1A1TSHR
SCHEMBL4870271 0.80 PARP1 (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4875081 0.78 NAMPT (0.34)
SCHEMBL4866734 0.78 KMT2A (0.35) KMT2AMEN1SMN1; SMN2FAAHPOLB

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 1941/4885MEN1 1954/4885SMN1; SMN2 3854/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885MEN1 1892/4885SMN1; SMN2 3754/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 KMT2A 2014/4885MEN1 1892/4885SMN1; SMN2 3754/4885

“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.