SCHEMBL12376485

SCHEMBL12376485

CC(C)C1Cc2ccccc2N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
BCHE P06276 1/20 0.42
NAMPT P43490 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NOTUM Q6P988 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
MAPK1 P28482 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GPR119 Q8TDV5 2/20 0.37

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
SCHEMBL20565763 0.83 KDM1A (0.39) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL14587286 0.82 KDM1A (0.46) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL14587287 0.82 KDM1A (0.46) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL16353667 0.82 NOTUM (0.47) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL6648174 0.82 NOTUM (0.47) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL16385108 0.82 NOTUM (0.47) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL16353535 0.82 NOTUM (0.47) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL8567392 0.81 KDM1A (0.38) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL30632531 0.81 KDM1A (0.51) KDM1ABCHENAMPTHDAC1HDAC6
SCHEMBL26115263 0.81 KDM1A (0.51) KDM1ABCHENAMPTHDAC1HDAC6

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 2 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

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 KDM1A 1397/4885BCHE 910/4885NAMPT 3211/4885

“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.