SCHEMBL904597

SCHEMBL904597

O=C(NC1CCC(COC(=O)N2CCCC2)CC1)OCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
KCNH2 Q12809 3/20 0.43
DPP7 Q9UHL4 3/20 0.43
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 1/20 0.41
ENPP2 Q13822 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.39
ADORA2A P29274 1/20 0.39
EPHX1 P07099 1/20 0.39
HTR1A P08908 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
SCHEMBL904591 0.87 DPP4 (0.46) DPP4KCNH2DPP7ENPP2PKM
SCHEMBL904569 0.81 DPP4 (0.50) DPP4KCNH2DPP7CYP3A4HTT
SCHEMBL904530 0.81 NAMPT (0.44) CYP3A4ENPP2ALDH1A1KDM4ECYP1A2
SCHEMBL904489 0.80 DPP4 (0.51) DPP4KCNH2DPP7CYP3A4PKM
SCHEMBL15198667 0.79 DPP4 (0.49) DPP4KCNH2DPP7PKMHTT
SCHEMBL904588 0.78 DPP4 (0.45) DPP4KCNH2DPP7ENPP2ALDH1A1
SCHEMBL904829 0.77 DPP4 (0.50) DPP4KCNH2DPP7PKMHTT
SCHEMBL904499 0.77 KCNH2 (0.45) DPP4KCNH2DPP7ENPP2ALDH1A1
SCHEMBL904464 0.76 DPP4 (0.46) DPP4KCNH2DPP7SMN1; SMN2ALDH1A1
SCHEMBL15198666 0.76 DPP4 (0.48) DPP4KCNH2DPP7PKMHTT

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 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.