SCHEMBL904684

SCHEMBL904684

O=C(NC1CCC(COC(=O)N2CCCC2)CC1)OC(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 5/20 0.40
EPHX2 P34913 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GRIN2B Q13224 1/20 0.40
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL904469 0.88 KDM4E (0.40) MEN1POLBKMT2AALDH1A1EPHX2
SCHEMBL904569 0.83 DPP4 (0.50) MEN1KMT2AHTTALDH1A1CYP3A4
SCHEMBL904511 0.83 ALDH1A1 (0.46) MEN1POLBKMT2AHTTALDH1A1
SCHEMBL904658 0.81 EPHX2 (0.43) MEN1KMT2AALDH1A1EPHX2GRIN2B
SCHEMBL904489 0.76 DPP4 (0.51) HTTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL11656225 0.74 LMNA (0.57) MEN1POLBKMT2AALDH1A1CYP3A4
SCHEMBL904464 0.74 DPP4 (0.46) ALDH1A1GRIN2BSMN1; SMN2GAA
SCHEMBL904500 0.74 GRIN2B (0.46) MEN1KMT2AALDH1A1GRIN2BEPHX1
SCHEMBL904563 0.74 FAAH (0.48) MEN1KMT2AALDH1A1GRIN2BEPHX1
SCHEMBL904539 0.72 NAMPT (0.46) ALDH1A1CYP3A4CYP2D6CYP2C9GRIN2B

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 MEN1 3370/4885POLB 2563/4885KMT2A 2073/4885

“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.