SCHEMBL904500

SCHEMBL904500

Cc1ncccc1COC(=O)NC1CCC(COC(=O)N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.46
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NOS2 P35228 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
LMNA P02545 1/20 0.39
SSTR4 P31391 1/20 0.38

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
SCHEMBL904563 0.89 FAAH (0.48) GRIN2BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL904464 0.83 DPP4 (0.46) GRIN2BALDH1A1NOS2DPP4KCNH2
SCHEMBL904569 0.80 DPP4 (0.50) GRIN2BALDH1A1MEN1KMT2ADPP4
SCHEMBL904489 0.80 DPP4 (0.51) GRIN2BALDH1A1DPP4KCNH2DPP7
SCHEMBL904497 0.80 DPP4 (0.43) GRIN2BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL904588 0.78 DPP4 (0.45) GRIN2BALDH1A1NOS2DPP4KCNH2
SCHEMBL904591 0.77 DPP4 (0.46) GRIN2BALDH1A1L3MBTL1KMT2ADPP4
SCHEMBL904658 0.77 EPHX2 (0.43) GRIN2BALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL904527 0.77 DPP4 (0.43) ALDH1A1DPP4KCNH2DPP7EPHX1
SCHEMBL15198666 0.75 DPP4 (0.48) ALDH1A1MEN1KMT2ADPP4KCNH2

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 GRIN2B 119/4885ALDH1A1 3689/4885L3MBTL1 3327/4885

“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.