SCHEMBL10138468

SCHEMBL10138468

CC(C)(O)COCCOc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 13/20 0.46
CDK8 P49336 13/20 0.46
GRM2 Q14416 3/20 0.38
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL578513 0.88 CCNC (0.48) CCNCCDK8GRM2
SCHEMBL10138415 0.87 CCNC (0.52) CCNCCDK8GRM2
SCHEMBL10138499 0.84 CCNC (0.43) CCNCCDK8GRM2FFAR4
SCHEMBL578716 0.84 CCNC (0.42) CCNCCDK8GRM2FFAR4
SCHEMBL10138457 0.83 CCNC (0.43) CCNCCDK8GRM2
SCHEMBL10127743 0.83 CCNC (0.43) CCNCCDK8GRM2
Hydrochloric Acid SCHEMBL585959 0.82 CCNC (0.43) CCNCCDK8GRM2
SCHEMBL10138427 0.81 CCNC (0.42) CCNCCDK8GRM2FFAR4
SCHEMBL10138449 0.81 CCNC (0.40) CCNCCDK8GRM2FFAR4
SCHEMBL578454 0.81 L3MBTL1 (0.41) CCNCCDK8GRM2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010116915-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP 第一三共株式会社 (JP) 2010-10-14 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 CCNC 1592/4885CDK8 2959/4885GRM2 1396/4885

“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.