SCHEMBL904469

SCHEMBL904469

O=C(NC1CCC(COC(=O)N2CCCC2)CC1)OC(=O)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
GRIN2B Q13224 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX2 P34913 2/20 0.37
JMJD6 Q6NYC1 2/20 0.37
EPHX1 P07099 1/20 0.37
DPP4 P27487 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PRSS1 P07477 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
RECQL P46063 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
SCHEMBL904684 0.88 MEN1 (0.43) CYP2D6CYP2C9GRIN2BCYP3A4EPHX2
SCHEMBL904489 0.84 DPP4 (0.51) TSHRCYP2D6CYP2C9GRIN2BCYP3A4
SCHEMBL904658 0.82 EPHX2 (0.43) KDM4EGRIN2BEPHX2EPHX1DPP4
SCHEMBL904644 0.81 MAPT (0.50) KDM4ETSHRGLARAB9ACYP2D6
SCHEMBL904569 0.76 DPP4 (0.50) TSHRCYP2D6CYP2C9GRIN2BCYP3A4
SCHEMBL904464 0.75 DPP4 (0.46) KDM4ETSHRRAB9AGRIN2BDPP4
SCHEMBL904574 0.74 CYP2D6 (0.43) CYP2D6CYP2C9GRIN2BDPP4DPP7
SCHEMBL904588 0.73 DPP4 (0.45) TSHRGRIN2BEPHX1DPP4KCNH2
SCHEMBL904500 0.73 GRIN2B (0.46) KDM4EGRIN2BEPHX1DPP4KCNH2
SCHEMBL904563 0.73 FAAH (0.48) KDM4EGRIN2BEPHX1DPP4KCNH2

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 KDM4E 1416/4885TSHR 4301/4885GLA 2849/4885

“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.