SCHEMBL904535

SCHEMBL904535

CN(Cc1ccccn1)C(=O)OC1CCC(COC(=O)N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 2/20 0.46
NOS2 P35228 1/20 0.42
LMNA P02545 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
OPRD1 P41143 1/20 0.39
GRIN2B Q13224 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PTGIR P43119 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
SCHEMBL904607 0.84 PTGIR (0.46) ALDH1A1KDM4ENOS2LMNAGRIN2B
SCHEMBL904457 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ENOS2OPRD1GRIN2B
SCHEMBL904461 0.81 PTGIR (0.45) ALDH1A1KDM4ENOS2LMNAOPRD1
SCHEMBL904415 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ENOS2OPRD1GRIN2B
SCHEMBL904606 0.80 HPGD (0.46) ALDH1A1KDM4ENOS2GRIN2B
SCHEMBL904820 0.80 HPGD (0.47) ALDH1A1KDM4ENOS2
SCHEMBL904400 0.79 NOS2 (0.46) ALDH1A1KDM4ENOS2GRIN2B
SCHEMBL904460 0.79 RAB9A (0.44) ALDH1A1KDM4ENOS2
SCHEMBL904585 0.79 PTGIR (0.45) ALDH1A1KDM4ENOS2GRIN2BPTGIR
SCHEMBL904612 0.78 GRIN2B (0.39) ALDH1A1NOS2OPRD1GRIN2BBCHE

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 ALDH1A1 3689/4885KDM4E 1416/4885NOS2 1768/4885

“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.