SCHEMBL904569

SCHEMBL904569

O=C(NC1CCC(COC(=O)N2CCCC2)CC1)OCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.50
KCNH2 Q12809 3/20 0.50
DPP7 Q9UHL4 3/20 0.50
GRIN2B Q13224 4/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP3A4 P08684 2/20 0.49
HDAC8 Q9BY41 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.42
OPRK1 P41145 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NAMPT P43490 1/20 0.41
C3AR1 Q16581 1/20 0.41
FKBP1A P62942 1/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL904489 0.88 DPP4 (0.51) DPP4KCNH2DPP7GRIN2BCYP2D6
SCHEMBL904591 0.84 DPP4 (0.46) DPP4KCNH2DPP7GRIN2BALDH1A1
SCHEMBL904684 0.83 MEN1 (0.43) GRIN2BCYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL904588 0.81 DPP4 (0.45) DPP4KCNH2DPP7GRIN2BALDH1A1
SCHEMBL904597 0.81 DPP4 (0.43) DPP4KCNH2DPP7GRIN2BCYP2D6
SCHEMBL904464 0.81 DPP4 (0.46) DPP4KCNH2DPP7GRIN2BALDH1A1
SCHEMBL12424516 0.81 HDAC8 (0.53) CYP3A4HDAC8ALDH1A1GAATSHR
SCHEMBL904829 0.81 DPP4 (0.50) DPP4KCNH2DPP7GRIN2BALDH1A1
SCHEMBL904499 0.81 KCNH2 (0.45) DPP4KCNH2DPP7ALDH1A1GAA
SCHEMBL904500 0.80 GRIN2B (0.46) DPP4KCNH2DPP7GRIN2BALDH1A1

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 9 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-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

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 1676/4885KCNH2 1522/4885DPP7 1899/4885

“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.