SCHEMBL2487488

SCHEMBL2487488

CCOC(=O)C(=CNc1cc(F)ccc1Br)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
DHODH Q02127 4/20 0.56
GAA P10253 1/20 0.56
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
NPSR1 Q6W5P4 6/20 0.52
MAPT P10636 5/20 0.50
KDM4E B2RXH2 5/20 0.50
LMNA P02545 4/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 1/20 0.45

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
SCHEMBL10860624 0.88 MEN1 (0.60) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL2970561 0.86 MEN1 (0.75) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL2485251 0.86 MEN1 (0.59) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL22492470 0.84 DHODH (0.66) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL7432042 0.84 MEN1 (0.59) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL396592 0.83 KDM4E (0.66) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL17128366 0.81 DHODH (0.74) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL18529096 0.80 MEN1 (0.54) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL17241561 0.79 DHODH (0.62) MEN1KMT2ADHODHGAACYP3A4
SCHEMBL31373000 0.79 MEN1 (0.56) MEN1KMT2ADHODHGAACYP3A4

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-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

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 MEN1 2827/4885KMT2A 1268/4885DHODH 4028/4885

“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.