SCHEMBL4870508

SCHEMBL4870508

CC(C)N(CCCCN1CCCCC1=O)C(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
HTR2C P28335 1/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR7 P34969 1/20 0.39
ELANE P08246 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TYRO3 Q06418 1/20 0.38
MEN1 O00255 1/20 0.38
PTGER4 P35408 4/20 0.38
PTGER2 P43116 3/20 0.38
PTGER3 P43115 3/20 0.38
MAPT P10636 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL4875623 0.87 HTR2A (0.39) HTR2AHTR2BHTR2CLMNAKMT2A
SCHEMBL4872409 0.79 SMN1; SMN2 (0.39) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4866715 0.78 KMT2A (0.39) KMT2AKDM4EALDH1A1MEN1
SCHEMBL6977704 0.78 HTR7 (0.40) HTR7ELANEGAAPTGER4PTGER2
SCHEMBL4864679 0.77 KDM4E (0.34) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL4873850 0.77 KMT2A (0.38) KMT2AKDM4EALDH1A1MEN1
SCHEMBL4875631 0.77 SIGMAR1 (0.42) HTR2AHTR2BHTR2CLMNAKMT2A
SCHEMBL6983872 0.77 MC4R (0.42) KMT2AHTR7ELANEGAADRD3
SCHEMBL4870366 0.76 SLC6A4 (0.42) HTR2AHTR2BHTR2CLMNAKMT2A
SCHEMBL4863305 0.75 KMT2A (0.34) KMT2ASMN1; SMN2MEN1ADRA1A

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 9 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
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 HTR2A 238/4885HTR2B 310/4885HTR2C 212/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HTR2A 199/4885HTR2B 245/4885HTR2C 157/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HTR2A 199/4885HTR2B 245/4885HTR2C 157/4885

“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.