SCHEMBL904563

SCHEMBL904563

O=C(NC1CCC(COC(=O)N2CCCC2)CC1)OCc1cccnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
DPP4 P27487 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2B Q13224 7/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS2 P35228 1/20 0.38
P2RX7 Q99572 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL904500 0.89 GRIN2B (0.46) DPP4DPP7KCNH2GRIN2BEPHX1
SCHEMBL904464 0.83 DPP4 (0.46) DPP4DPP7KCNH2GRIN2BALDH1A1
SCHEMBL904588 0.82 DPP4 (0.45) DPP4DPP7KCNH2GRIN2BEPHX1
SCHEMBL904611 0.81 FAAH (0.46) FAAHGRIN2BALDH1A1L3MBTL1MEN1
SCHEMBL904591 0.80 DPP4 (0.46) DPP4DPP7KCNH2GRIN2BEPHX1
SCHEMBL904569 0.80 DPP4 (0.50) DPP4DPP7KCNH2GRIN2BEPHX1
SCHEMBL904527 0.80 DPP4 (0.43) DPP4DPP7KCNH2EPHX1ALDH1A1
SCHEMBL904489 0.80 DPP4 (0.51) DPP4DPP7KCNH2GRIN2BEPHX1
SCHEMBL904499 0.79 KCNH2 (0.45) DPP4DPP7KCNH2ALDH1A1GAA
SCHEMBL904658 0.77 EPHX2 (0.43) DPP4DPP7KCNH2GRIN2BEPHX1

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 FAAH 172/4885DPP4 1676/4885DPP7 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.