SCHEMBL4870271

SCHEMBL4870271

CCC(NCCCCN1CCNCCC1=O)C(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.33
CCR5 P51681 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL4872485 0.90 HPGD (0.35) PARP1SMN1; SMN2HPGDCCR5ALDH1A1
SCHEMBL4866751 0.89 HPGD (0.41) PARP1SMN1; SMN2HPGDALOX15RAB9A
SCHEMBL4877168 0.84 SLC6A4 (0.39) RAB9ASLC6A4
SCHEMBL4873710 0.84 RAB9A (0.34) RAB9AMEN1KMT2A
SCHEMBL4868919 0.82 TRPV1 (0.34) HPGDALDH1A1TRPV1RAB9AMEN1
SCHEMBL4872456 0.82 SMN1; SMN2 (0.39) SMN1; SMN2HPGDALOX15ALDH1A1LMNA
SCHEMBL4872375 0.81 POLB (0.32) SMN1; SMN2ALDH1A1LMNARAB9AKMT2A
SCHEMBL4876233 0.81 RAB9A (0.38) SMN1; SMN2HPGDRAB9AMEN1KMT2A
SCHEMBL4870376 0.80 SLC6A4 (0.41) SMN1; SMN2LMNARAB9AKMT2ACYP2D6
SCHEMBL4866737 0.80 KMT2A (0.35) SMN1; SMN2ALDH1A1LMNARAB9AMEN1

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 8 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
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
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 (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 PARP1 4430/4885SMN1; SMN2 3854/4885HPGD 1395/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PARP1 4138/4885SMN1; SMN2 3754/4885HPGD 1194/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 PARP1 4138/4885SMN1; SMN2 3754/4885HPGD 1194/4885

“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.