SCHEMBL904461

SCHEMBL904461

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.45
NOS2 P35228 1/20 0.44
OPRM1 P35372 8/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM4 P08173 2/20 0.39
CHRM2 P08172 1/20 0.39
GRIN2B Q13224 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 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
SCHEMBL904607 0.88 PTGIR (0.46) PTGIRNOS2OPRM1KDM4EALDH1A1
SCHEMBL904585 0.85 PTGIR (0.45) PTGIRNOS2OPRM1KDM4EALDH1A1
SCHEMBL904629 0.83 CYP19A1 (0.40) NOS2KDM4EALDH1A1CHRM4CHRM2
SCHEMBL904434 0.82 PTGIR (0.46) PTGIRKDM4ECHRM4CHRM2GRIN2B
SCHEMBL904535 0.81 ALDH1A1 (0.46) PTGIRNOS2KDM4EALDH1A1GRIN2B
SCHEMBL904400 0.79 NOS2 (0.46) NOS2KDM4EALDH1A1CHRM4CHRM2
SCHEMBL904457 0.77 ALDH1A1 (0.45) NOS2KDM4EALDH1A1CHRM4CHRM2
SCHEMBL904612 0.76 GRIN2B (0.39) NOS2ALDH1A1CHRM4CHRM2GRIN2B
SCHEMBL904546 0.76 NOS2 (0.53) NOS2KDM4EGRIN2B
SCHEMBL904566 0.76 OPRM1 (0.38) PTGIROPRM1KDM4ECHRM4GRIN2B

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 1768/4885OPRM1 2/4885

“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.