SCHEMBL4873198

SCHEMBL4873198

CCCN(CCCCN1CCCN(C(=O)c2ccco2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.38
PKM P14618 4/20 0.38
ALDH1A1 P00352 9/20 0.37
FABP1 P07148 1/20 0.37
FABP6 P51161 1/20 0.37
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 3/20 0.34
USP2 O75604 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 3/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR5 P51681 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4872635 0.92 CHRM2 (0.39) BMP1PKMALDH1A1LMNASMN1; SMN2
SCHEMBL4872589 0.91 CHRM5 (0.34) ALDH1A1LMNASMN1; SMN2TSHRHTT
SCHEMBL4870537 0.91 CHRM2 (0.32) ALDH1A1SMN1; SMN2TSHRNPSR1TP53
SCHEMBL4870423 0.90 NAMPT (0.34) BMP1ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL4872624 0.90 LMNA (0.38) ALDH1A1LMNASMN1; SMN2USP2CHRM2
SCHEMBL4872570 0.90 CHRM2 (0.34) ALDH1A1SMN1; SMN2TSHRNPSR1TP53
SCHEMBL4875555 0.89 CHRM2 (0.33) ALDH1A1LMNASMN1; SMN2TSHRHTT
SCHEMBL4872564 0.89 BMP1 (0.39) BMP1LMNASMN1; SMN2HTTCHRM2
SCHEMBL4871422 0.89 SCD5 (0.35) ALDH1A1LMNASMN1; SMN2CHRM2MAPT
SCHEMBL4870472 0.88 KDM4E (0.39) BMP1ALDH1A1LMNASMN1; SMN2TSHR

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 BMP1 2490/4885PKM 2222/4885ALDH1A1 2504/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 BMP1 2292/4885PKM 1981/4885ALDH1A1 1684/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 BMP1 2292/4885PKM 1981/4885ALDH1A1 1684/4885

“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.