SCHEMBL4872218

SCHEMBL4872218

CCN(CCCCN1CCCOCC1=O)C(C)Cc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 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
SCHEMBL4872986 0.88 LMNA (0.36) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL4869051 0.88 PIK3CD (0.34) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL4873829 0.88 LMNA (0.35) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL4873200 0.87 ALDH1A1 (0.36) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL4875887 0.85 LMNA (0.33) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL4876455 0.85 LMNA (0.36) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL4866770 0.84 GRM2 (0.33) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL4872372 0.84 LMNA (0.31) LMNAMAPK1HTTSMN1; SMN2
SCHEMBL4872422 0.84 NMT1 (0.34) TSHRLMNAMAPK1HTTSMN1; SMN2
SCHEMBL4877235 0.83 ALDH1A1 (0.33) TSHRALDH1A1CYP2D6

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 TSHR 146/4885ALDH1A1 2504/4885LMNA 3315/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TSHR 120/4885ALDH1A1 1684/4885LMNA 3391/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TSHR 120/4885ALDH1A1 1684/4885LMNA 3391/4885

“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.