SCHEMBL904497

SCHEMBL904497

Cc1cccc(COC(=O)NC2CCC(COC(=O)N3CCCC3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
KCNH2 Q12809 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
KMT2A Q03164 4/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 2/20 0.39
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
GRIN2B Q13224 1/20 0.38
GAA P10253 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
SCHEMBL904527 0.89 DPP4 (0.43) DPP4KCNH2DPP7EPHX1ALDH1A1
SCHEMBL904464 0.84 DPP4 (0.46) DPP4KCNH2DPP7ALDH1A1KDM4E
SCHEMBL904500 0.80 GRIN2B (0.46) DPP4KCNH2DPP7KMT2AMEN1
SCHEMBL904565 0.80 KMT2A (0.42) DPP4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL904489 0.79 DPP4 (0.51) DPP4KCNH2DPP7EPHX1ALDH1A1
SCHEMBL904499 0.78 KCNH2 (0.45) DPP4KCNH2DPP7ALDH1A1GAA
SCHEMBL904569 0.77 DPP4 (0.50) DPP4KCNH2DPP7KMT2AMEN1
SCHEMBL904563 0.76 FAAH (0.48) DPP4KCNH2DPP7KMT2AMEN1
SCHEMBL904829 0.76 DPP4 (0.50) DPP4KCNH2DPP7EPHX1ALDH1A1
SCHEMBL904514 0.75 TSHR (0.45) KMT2AALDH1A1

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 1676/4885KCNH2 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.