SCHEMBL904534

SCHEMBL904534

CC(NC(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
NOS2 P35228 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
ADORA2A P29274 7/20 0.39
ADORA2B P29275 7/20 0.39
GRIN2B Q13224 4/20 0.39
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
CNR1 P21554 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL904546 0.81 NOS2 (0.53) NOS2HRH3GRIN2B
SCHEMBL904606 0.80 HPGD (0.46) CNR2NOS2ADORA2AADORA2BGRIN2B
SCHEMBL904820 0.79 HPGD (0.47) CNR2NOS2ADORA2AADORA2B
SCHEMBL904400 0.79 NOS2 (0.46) NOS2HRH3GRIN2B
SCHEMBL904460 0.78 RAB9A (0.44) NOS2CCNE1CDK2
SCHEMBL904457 0.76 ALDH1A1 (0.45) NOS2HRH3GRIN2B
SCHEMBL904607 0.76 PTGIR (0.46) NOS2HRH3GRIN2B
SCHEMBL904461 0.74 PTGIR (0.45) NOS2GRIN2B
SCHEMBL904535 0.74 ALDH1A1 (0.46) NOS2GRIN2B
SCHEMBL904611 0.74 FAAH (0.46) NOS2GRIN2B

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 CNR2 5/4885NOS2 1768/4885HRH3 2237/4885

“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.