SCHEMBL904588

SCHEMBL904588

O=C(NC1CCC(COC(=O)N2CCCC2)CC1)OCc1ccnc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
KCNH2 Q12809 1/20 0.45
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
GRIN2B Q13224 5/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ENPP2 Q13822 5/20 0.39
EPHX1 P07099 2/20 0.38
TSHR P16473 1/20 0.38
NOS3 P29474 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
SCHEMBL904499 0.88 KCNH2 (0.45) DPP4DPP7KCNH2ALDH1A1GAA
SCHEMBL904489 0.87 DPP4 (0.51) DPP4DPP7KCNH2GRIN2BALDH1A1
SCHEMBL904591 0.85 DPP4 (0.46) DPP4DPP7KCNH2GRIN2BALDH1A1
SCHEMBL904563 0.82 FAAH (0.48) DPP4DPP7KCNH2NOS2GRIN2B
SCHEMBL904569 0.81 DPP4 (0.50) DPP4DPP7KCNH2GRIN2BALDH1A1
SCHEMBL904464 0.80 DPP4 (0.46) DPP4DPP7KCNH2NOS2GRIN2B
SCHEMBL904829 0.80 DPP4 (0.50) DPP4DPP7KCNH2GRIN2BALDH1A1
SCHEMBL904547 0.80 TPSAB1 (0.42) NOS1NOS2GRIN2BALDH1A1GAA
SCHEMBL904527 0.79 DPP4 (0.43) DPP4DPP7KCNH2ALDH1A1GAA
SCHEMBL15198667 0.79 DPP4 (0.49) DPP4DPP7KCNH2GRIN2BALDH1A1

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 11 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
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-8822463-B2 Methylcyclohexane derivatives and uses thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-02 US 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
US-20130217686-A1 NOVEL METHYLCYCLOHEXANE DERIVATIVES AND USES THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-08-22 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
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 DPP4 1676/4885DPP7 1899/4885KCNH2 1522/4885

“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.