SCHEMBL7937581

SCHEMBL7937581

CCOC(=O)c1cn(Cc2ccc(N)cc2)c2cccc(F)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.58
GNRHR P30968 6/20 0.51
P2RX3 P56373 1/20 0.46
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
STAT3 P40763 1/20 0.41

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
SCHEMBL1931223 0.90 CHRM1 (0.58) CHRM1GNRHRP2RX3KMT2AKDM4E
SCHEMBL12376469 0.85 CHRM1 (0.53) CHRM1GNRHRP2RX3KMT2AALDH1A1
SCHEMBL14922852 0.82 CHRM1 (0.50) CHRM1GNRHRP2RX3KMT2AKDM4E
SCHEMBL1550419 0.82 CHRM1 (0.50) CHRM1GNRHRP2RX3KMT2AKDM4E
SCHEMBL1550162 0.82 CHRM1 (0.50) CHRM1GNRHRP2RX3KMT2AKDM4E
SCHEMBL1931562 0.81 CHRM1 (0.48) CHRM1GNRHRP2RX3KMT2AKDM4E
SCHEMBL1931415 0.81 CHRM1 (0.48) CHRM1GNRHRP2RX3KMT2AKDM4E
SCHEMBL1931549 0.81 CHRM1 (0.48) CHRM1GNRHRP2RX3KMT2AKDM4E
SCHEMBL1931435 0.81 CHRM1 (0.48) CHRM1GNRHRP2RX3KMT2AKDM4E
SCHEMBL7921098 0.80 CHRM1 (0.48) CHRM1P2RX3KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2312949-B1 N-HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8426598-B2 N-heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-04-23 US disclosed
US-8426598-B2 N-heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. (US) 2013-04-23 US disclosed
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2010019391-A1 N-HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-02-18 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-20110136863-A1 N-Heterocyclic M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, OPRM1 CHRM1 1/4885GNRHR 591/4885P2RX3 138/4885

“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.