SCHEMBL4545450

SCHEMBL4545450

CCCn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c(F)ccc(F)c43)c(F)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 15/20 0.62
NAMPT P43490 1/20 0.43
CHRM5 P08912 1/20 0.41
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ADORA2B P29275 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 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
SCHEMBL2485727 0.88 CHRM1 (0.60) CHRM1NAMPTCHRM5CTSKCTSC
SCHEMBL2488634 0.88 CHRM1 (0.81) CHRM1NAMPTCHRM5CTSKCTSC
SCHEMBL2486292 0.82 CHRM1 (0.58) CHRM1CHRM5
SCHEMBL16597561 0.82 CHRM1 (0.69) CHRM1CHRM5
SCHEMBL2486081 0.82 CHRM1 (0.76) CHRM1CHRM5
SCHEMBL14308113 0.81 CHRM1 (0.56) CHRM1
SCHEMBL2487845 0.81 CHRM1 (0.57) CHRM1
SCHEMBL2488023 0.80 CHRM1 (0.54) CHRM1
SCHEMBL2487906 0.80 CHRM1 (0.60) CHRM1L3MBTL1
SCHEMBL2488265 0.80 CHRM1 (0.58) CHRM1CTSKCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US disclosed
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 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-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators CHRM1, OPRL1, MTNR1A CHRM1 1/4885NAMPT 2610/4885CHRM5 13/4885

“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.