SCHEMBL2490472

SCHEMBL2490472

CCOC(=O)c1cn(Cc2ccc(Br)cc2F)c2cccc(F)c2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.52
LMNA P02545 1/20 0.52
RORC P51449 1/20 0.44
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
KMT2A Q03164 2/20 0.42
GNRHR P30968 2/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOD2 Q9HC29 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
STAT3 P40763 1/20 0.39

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
SCHEMBL2492043 0.86 LMNA (0.51) CHRM1LMNAKMT2AGNRHRHTT
SCHEMBL3235201 0.86 CHRM1 (0.65) CHRM1LMNARORCTP53RXFP1
SCHEMBL14922852 0.80 CHRM1 (0.50) CHRM1LMNATP53RXFP1KMT2A
SCHEMBL1931223 0.79 CHRM1 (0.58) CHRM1KMT2AGNRHRHTTSTAT3
SCHEMBL3238778 0.79 CHRM1 (0.48) CHRM1RORCTP53RXFP1KMT2A
SCHEMBL7937581 0.79 CHRM1 (0.58) CHRM1KMT2AGNRHRTSHRSTAT3
SCHEMBL12376469 0.78 CHRM1 (0.53) CHRM1LMNAKMT2AGNRHRHTT
SCHEMBL17338593 0.76 NPC1 (0.63) LMNATP53RXFP1KMT2AGNRHR
SCHEMBL11895061 0.75 KMT2A (0.50) LMNATP53RXFP1KMT2AMAPT
SCHEMBL7921098 0.74 CHRM1 (0.48) CHRM1LMNAKMT2AKDM4E

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 9 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-8178667-B2 Benzyl-substituted quinolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-15 US disclosed
EP-2037739-B1 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2011-10-26 EP 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
US-20100009962-A1 Benzyl-substituted quinolone m1 receptor positive allosteric modulators MERCK SHARP & DOHME LLC 2010-01-14 US disclosed
EP-2037739-A2 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck & Co., Inc. (US) 2009-03-25 EP disclosed
WO-2008002621-A2 BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2008-01-03 WO 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 1/4885LMNA 3254/4885RORC 216/4885

“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.