SCHEMBL904508

SCHEMBL904508

O=CN(C(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
GRIN2B Q13224 2/20 0.37
CYP19A1 P11511 4/20 0.37
HRH3 Q9Y5N1 2/20 0.36
GPR119 Q8TDV5 3/20 0.35
PTGIR P43119 5/20 0.34
PRSS1 P07477 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
PTGDR Q13258 1/20 0.33
KDM1A O60341 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL904567 0.88 PTGIR (0.46) CYP2D6CYP2C9GRIN2BGPR119PTGIR
SCHEMBL904431 0.85 CYP19A1 (0.43) CYP2D6CYP2C9GRIN2BCYP19A1HRH3
SCHEMBL904583 0.85 CYP19A1 (0.38) CYP2D6CYP2C9GRIN2BCYP19A1HRH3
SCHEMBL904629 0.84 CYP19A1 (0.40) CYP2D6CYP2C9GRIN2BCYP19A1HRH3
SCHEMBL904585 0.83 PTGIR (0.45) GRIN2BHRH3PTGIRKDM1A
SCHEMBL904549 0.80 CYP19A1 (0.41) CYP2D6CYP2C9GRIN2BCYP19A1HRH3
SCHEMBL904644 0.79 MAPT (0.50) CYP2D6CYP2C9GRIN2BCYP19A1HRH3
SCHEMBL904574 0.77 CYP2D6 (0.43) CYP2D6CYP2C9GRIN2BCYP19A1PTGIR
SCHEMBL904540 0.76 PTGIR (0.48) CYP2D6CYP2C9GRIN2BGPR119PTGIR
SCHEMBL904441 0.75 NOS1 (0.38) GRIN2BPTGIR

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 CYP2D6 708/4885CYP2C9 1834/4885GRIN2B 119/4885

“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.