SCHEMBL578478

SCHEMBL578478

CC(=O)N1CCC(O)(c2ccc(-c3cncc4ccc(C(N)=O)cc34)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.45
CDK8 P49336 5/20 0.45
SLC22A12 Q96S37 3/20 0.42
CYP17A1 P05093 1/20 0.41
MAP3K11 Q16584 2/20 0.41
ACVR1 Q04771 1/20 0.40
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
PARP10 Q53GL7 2/20 0.38
PARP14 Q460N5 1/20 0.38
S1PR2 O95136 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP46A1 Q9Y6A2 1/20 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
SCHEMBL578539 0.86 CCNC (0.47) CCNCCDK8SLC22A12CYP17A1CYP11B1
SCHEMBL578346 0.84 CCNC (0.42) CCNCCDK8SLC22A12ACVR1CYP11B1
SCHEMBL27885037 0.83 CYP11B2 (0.52) CCNCCDK8CYP11B1CYP11B2CYP46A1
SCHEMBL578804 0.82 ACVR1 (0.54) CCNCCDK8SLC22A12MAP3K11ACVR1
SCHEMBL619234 0.81 MAP3K11 (0.41) CCNCCDK8MAP3K11PARP10PARP14
SCHEMBL10138328 0.81 CCNC (0.46) CCNCCDK8SLC22A12MAP3K11ACVR1
SCHEMBL578319 0.79 QDPR (0.48) CCNCCDK8SLC22A12MAP3K11ACVR1
SCHEMBL10138336 0.78 SLC22A12 (0.54) CCNCCDK8SLC22A12
SCHEMBL10138319 0.75 SLC22A12 (0.54) CCNCCDK8SLC22A12ACVR1KDM4E
SCHEMBL578479 0.74 SLC22A12 (0.55) CCNCCDK8SLC22A12ACVR1

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
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP 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
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP 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 2959/4885SLC22A12 1300/4885

“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.