SCHEMBL904658

SCHEMBL904658

O=C(NC1CCC(COC(=O)N2CCCC2)CC1)OC(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
NOS2 P35228 1/20 0.43
EPHX1 P07099 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
GRIN2B Q13224 4/20 0.40
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RY12 Q9H244 2/20 0.38
CNR2 P34972 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
SCHEMBL904400 0.83 NOS2 (0.46) NOS2GRIN2BKDM4EALDH1A1L3MBTL1
SCHEMBL904464 0.83 DPP4 (0.46) NOS2GRIN2BDPP4KCNH2DPP7
SCHEMBL904469 0.82 KDM4E (0.40) EPHX2EPHX1GRIN2BDPP4KCNH2
SCHEMBL904684 0.81 MEN1 (0.43) EPHX2EPHX1GRIN2BMEN1KMT2A
SCHEMBL31431537 0.78 EPHX2 (0.56) EPHX2GRM5MEN1KMT2AKDM4E
SCHEMBL904500 0.77 GRIN2B (0.46) NOS2EPHX1GRIN2BDPP4KCNH2
SCHEMBL904563 0.77 FAAH (0.48) NOS2EPHX1GRIN2BDPP4KCNH2
SCHEMBL904489 0.75 DPP4 (0.51) EPHX1GRIN2BDPP4KCNH2DPP7
SCHEMBL904569 0.74 DPP4 (0.50) EPHX1GRIN2BDPP4KCNH2DPP7
SCHEMBL28897674 0.74 L3MBTL1 (0.50) MEN1KMT2AKDM4EHSD17B10ALDH1A1

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 5 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-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 EPHX2 790/4885NOS2 1768/4885EPHX1 1062/4885

“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.