SCHEMBL904522

SCHEMBL904522

CN(C(=O)OC1CCC(CNC(=O)C2CCCC2)CC1)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
CYP19A1 P11511 6/20 0.41
BUB1 O43683 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MAPT P10636 1/20 0.38
KDM4C Q9H3R0 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL904455 0.83 TPSAB1 (0.46) CYP19A1CYP2C9
SCHEMBL27928038 0.81 MAPT (0.50) CYP19A1KDM4EMAPT
SCHEMBL904523 0.78 NAMPT (0.47) EPHX1CYP19A1MAPTHPGD
SCHEMBL904431 0.73 CYP19A1 (0.43) CYP19A1CYP2D6CYP2C9MAPT
SCHEMBL7327230 0.72 EPHX1 (0.56) EPHX1KDM4ECYP3A4CYP2D6HPGD
SCHEMBL4523808 0.69 EPHX1 (0.88) EPHX1GAAKDM4ECYP2D6MAPT
SCHEMBL4526205 0.68 EPHX1 (0.92) EPHX1GAAKDM4ECYP2D6MAPT
SCHEMBL1553438 0.67 POLB (0.46) GAACYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28120286 0.67 PKM (0.56)
SCHEMBL27780541 0.67 CHRM3 (0.54)

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
EP-2621899-B1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2015-10-21 EP disclosed
US-8822463-B2 Methylcyclohexane derivatives and uses thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-02 US disclosed
US-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-22 US disclosed
EP-2621899-A2 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK Biopharmaceuticals Co., Ltd. (KR) 2013-08-07 EP disclosed
WO-2012044046-A2 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-04-05 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-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF OPRK1, OPRM1, OPRL1 EPHX1 1062/4885CYP19A1 1365/4885BUB1 4327/4885

“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.