SCHEMBL12376469

SCHEMBL12376469

CCOC(=O)c1cn(Cc2ccc3cc(F)ccc3c2)c2cccc(F)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.53
THRB P10828 1/20 0.45
GNRHR P30968 2/20 0.45
P2RX3 P56373 1/20 0.44
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 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
SCHEMBL2283690 0.86 CHRM1 (0.71) CHRM1CNR2ALDH1A1HTTLMNA
SCHEMBL7921098 0.85 CHRM1 (0.48) CHRM1P2RX3KMT2AALDH1A1LMNA
SCHEMBL1931223 0.85 CHRM1 (0.58) CHRM1GNRHRP2RX3KMT2AALDH1A1
SCHEMBL7937581 0.85 CHRM1 (0.58) CHRM1GNRHRP2RX3KMT2AGAA
SCHEMBL2288496 0.85 CHRM1 (0.47) CHRM1GNRHRP2RX3KMT2AALDH1A1
SCHEMBL14922852 0.84 CHRM1 (0.50) CHRM1GNRHRP2RX3KMT2AALDH1A1
SCHEMBL2490472 0.78 CHRM1 (0.52) CHRM1GNRHRKMT2ATSHRMEN1
SCHEMBL1347254 0.78 SMN1; SMN2 (0.53) CHRM1THRBGNRHRP2RX3LMNA
SCHEMBL1550162 0.78 CHRM1 (0.50) CHRM1GNRHRP2RX3KMT2AALDH1A1
SCHEMBL1550419 0.78 CHRM1 (0.50) CHRM1GNRHRP2RX3KMT2AALDH1A1

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-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

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 1/4885THRB 488/4885GNRHR 492/4885

“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.