SCHEMBL6171185

SCHEMBL6171185

CCC(NCCCCN1CCCN(C)CC1=O)[C@@H](C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.34
POLB P06746 2/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS2 P35354 1/20 0.32
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PRMT5 O14744 2/20 0.30
WDR77 Q9BQA1 2/20 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
SCHEMBL4868866 0.85 SIRT2 (0.32) CCR2POLBKMT2ATDP1ALDH1A1
SCHEMBL4875679 0.84 GPR119 (0.43)
SCHEMBL4876147 0.80 NAMPT (0.34)
SCHEMBL4863663 0.77 PTGS2 (0.34) CCR2SIRT2PTGS2PRMT5WDR77
SCHEMBL14194496 0.77 PTGS2 (0.34) CCR2SIRT2PTGS2PRMT5WDR77
SCHEMBL4875549 0.77 RAB9A (0.41) KMT2AALDH1A1RAB9ATSHRCYP2C19
SCHEMBL4870394 0.76 KMT2A (0.31) POLBKMT2ATDP1ALDH1A1TSHR
SCHEMBL4874186 0.76 RAB9A (0.40) KMT2ARAB9A
SCHEMBL4872375 0.75 POLB (0.32) POLBKMT2ATDP1ALDH1A1RAB9A
SCHEMBL4866656 0.75 NPC1 (0.40) KMT2ARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP 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 (1 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-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CCR2 180/4885POLB 4520/4885KMT2A 2014/4885

“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.