SCHEMBL904607

SCHEMBL904607

CN(C(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.46
NOS2 P35228 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GRIN2B Q13224 5/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
OPRM1 P35372 1/20 0.38
FFAR1 O14842 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL904461 0.88 PTGIR (0.45) PTGIRNOS2KDM4EALDH1A1GRIN2B
SCHEMBL904585 0.86 PTGIR (0.45) PTGIRNOS2KDM4EALDH1A1GRIN2B
SCHEMBL904566 0.85 OPRM1 (0.38) PTGIRKDM4EGRIN2BCHRM4CYP2D6
SCHEMBL904517 0.84 BCHE (0.37) CHRM2CHRM4CYP2D6HTTBCHE
SCHEMBL904535 0.84 ALDH1A1 (0.46) PTGIRNOS2KDM4EALDH1A1GRIN2B
SCHEMBL904612 0.83 GRIN2B (0.39) NOS2ALDH1A1GRIN2BCHRM2CHRM4
SCHEMBL904431 0.82 CYP19A1 (0.43) PTGIRGRIN2BHRH3CYP2D6HTT
SCHEMBL904540 0.81 PTGIR (0.48) PTGIRGRIN2BCHRM4CYP2D6
SCHEMBL904400 0.81 NOS2 (0.46) NOS2KDM4EALDH1A1GRIN2BCHRM2
SCHEMBL904548 0.80 NOS1 (0.39) PTGIRNOS2ALDH1A1GRIN2BBCHE

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 PTGIR 18/4885NOS2 1768/4885KDM4E 1416/4885

“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.