SCHEMBL7921098

SCHEMBL7921098

CCOC(=O)c1cn(Cc2ccc3c(cnn3C)c2)c2cccc(F)c2c1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.48
P2RX3 P56373 1/20 0.41
CACNA1H O95180 6/20 0.40
CACNA1G O43497 3/20 0.40
CACNA1I Q9P0X4 3/20 0.40
ELANE P08246 1/20 0.40
DRD4 P21917 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
P2RX7 Q99572 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
SCHEMBL2283777 0.88 CHRM1 (0.62) CHRM1CACNA1HCACNA1GCACNA1ILMNA
SCHEMBL12376469 0.85 CHRM1 (0.53) CHRM1P2RX3ALDH1A1KMT2ALMNA
SCHEMBL2288496 0.83 CHRM1 (0.47) CHRM1P2RX3DRD4SIGMAR1KDM4E
SCHEMBL7937581 0.80 CHRM1 (0.58) CHRM1P2RX3KDM4EALDH1A1KMT2A
SCHEMBL1931223 0.80 CHRM1 (0.58) CHRM1P2RX3KDM4EALDH1A1KMT2A
SCHEMBL14922852 0.79 CHRM1 (0.50) CHRM1P2RX3KDM4EALDH1A1KMT2A
SCHEMBL1550419 0.79 CHRM1 (0.50) CHRM1P2RX3DRD4KDM4EALDH1A1
SCHEMBL1931415 0.78 CHRM1 (0.48) CHRM1P2RX3KDM4EALDH1A1KMT2A
SCHEMBL1931435 0.78 CHRM1 (0.48) CHRM1P2RX3KDM4EALDH1A1KMT2A
SCHEMBL1931477 0.77 CHRM1 (0.48) CHRM1P2RX3KDM4EALDH1A1LMNA

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-8436016-B2 Fused heterocyclic M1 receptor positive allosteric modulators Merck, Sharp & Dohme, Corp. 2013-05-07 US disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 US disclosed
US-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck, Sharp & Dohme, Corp. 2011-08-18 US disclosed
WO-2010047990-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-04-29 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-20110201607-A1 FUSED HETEROCYCLIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 CHRM1 1/4885P2RX3 124/4885CACNA1H 559/4885

“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.