SCHEMBL904591

SCHEMBL904591

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
KCNH2 Q12809 1/20 0.46
ENPP2 Q13822 4/20 0.41
ATXN2 Q99700 1/20 0.41
EPHX1 P07099 1/20 0.41
RAB9A P51151 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
PRSS1 P07477 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
TSHR P16473 1/20 0.39
PDE1C Q14123 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 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
SCHEMBL904597 0.87 DPP4 (0.43) DPP4DPP7KCNH2ENPP2EPHX1
SCHEMBL904588 0.85 DPP4 (0.45) DPP4DPP7KCNH2ENPP2EPHX1
SCHEMBL904499 0.85 KCNH2 (0.45) DPP4DPP7KCNH2ENPP2ATXN2
SCHEMBL904569 0.84 DPP4 (0.50) DPP4DPP7KCNH2EPHX1GRIN2B
SCHEMBL904489 0.83 DPP4 (0.51) DPP4DPP7KCNH2EPHX1GRIN2B
SCHEMBL904829 0.81 DPP4 (0.50) DPP4DPP7KCNH2EPHX1RAB9A
SCHEMBL904563 0.80 FAAH (0.48) DPP4DPP7KCNH2EPHX1GRIN2B
SCHEMBL904527 0.80 DPP4 (0.43) DPP4DPP7KCNH2ENPP2EPHX1
SCHEMBL15198667 0.80 DPP4 (0.49) DPP4DPP7KCNH2EPHX1RAB9A
SCHEMBL904413 0.79 TPSAB1 (0.45) RAB9AALDH1A1L3MBTL1KMT2APRSS1

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 1676/4885DPP7 1899/4885KCNH2 1522/4885

“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.