SCHEMBL4873200

SCHEMBL4873200

CCN(CCCCN1CCOCCC1=O)C(C)Cc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.34
CYP2D6 P10635 2/20 0.33
BRPF1 P55201 1/20 0.32
CASR P41180 1/20 0.32
TEAD1 P28347 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ULK1 O75385 1/20 0.31
ULK2 Q8IYT8 1/20 0.31
ADRB2 P07550 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL4872986 0.89 LMNA (0.36) ALDH1A1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL4873829 0.88 LMNA (0.35) ALDH1A1TSHRSMN1; SMN2LMNAMAPK1
SCHEMBL4872218 0.87 TSHR (0.32) ALDH1A1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL4871419 0.86 MEN1 (0.31) TSHRCYP2D6SMN1; SMN2LMNAADRB2
SCHEMBL4876455 0.85 LMNA (0.36) ALDH1A1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL4872422 0.85 NMT1 (0.34) TSHRCYP2D6SMN1; SMN2LMNAMAPK1
SCHEMBL4869051 0.83 PIK3CD (0.34) ALDH1A1TSHRCYP2D6SMN1; SMN2LMNA
SCHEMBL4875621 0.83 CYP3A4 (0.30) TSHRCYP2D6LMNAADRB2CYP3A4
SCHEMBL14194498 0.83 ALDH1A1 (0.38) ALDH1A1TSHRCYP2D6BRPF1SMN1; SMN2
SCHEMBL4875887 0.82 LMNA (0.33) ALDH1A1TSHRCYP2D6SMN1; SMN2LMNA

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 ALDH1A1 2504/4885TSHR 146/4885CYP2D6 194/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ALDH1A1 1684/4885TSHR 120/4885CYP2D6 129/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ALDH1A1 1684/4885TSHR 120/4885CYP2D6 129/4885

“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.