SCHEMBL4874475

SCHEMBL4874475

CC(Cc1ccc(N2CCCS2(=O)=O)cc1)C(C)NCCCCN1CCNCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.35
LMNA P02545 3/20 0.35
PDE4A P27815 1/20 0.33
CDK2 P24941 2/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
AKR1C3 P42330 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
FLT3 P36888 1/20 0.30
SYK P43405 1/20 0.30
PHGDH O43175 1/20 0.30

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
SCHEMBL4875948 0.82 RAB9A (0.32)
SCHEMBL4876485 0.81 MEN1 (0.36) TP53LMNAMAPT
SCHEMBL4874468 0.80 TP53 (0.34) TP53LMNAPDE4ACDK2CCNA2
SCHEMBL4872485 0.76 HPGD (0.35) LMNA
SCHEMBL4873710 0.73 RAB9A (0.34)
SCHEMBL4876049 0.72 KMT2A (0.47) LMNAPOLB
SCHEMBL4872456 0.71 SMN1; SMN2 (0.39) LMNAMAPT
SCHEMBL4868919 0.71 TRPV1 (0.34) TP53
SCHEMBL4875416 0.71 MEN1 (0.44) TP53LMNA
SCHEMBL4872375 0.71 POLB (0.32) LMNAPOLB

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 TP53 2501/4885LMNA 3315/4885PDE4A 643/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TP53 2540/4885LMNA 3391/4885PDE4A 802/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TP53 2540/4885LMNA 3391/4885PDE4A 802/4885

“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.