SCHEMBL904612

SCHEMBL904612

CN(C(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1cccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.39
FAAH O00519 2/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM4 P08173 2/20 0.39
CHRM2 P08172 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
NOS2 P35228 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
BCHE P06276 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 1/20 0.36

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 0.83 PTGIR (0.46) GRIN2BCHRM4CHRM2NOS2BCHE
SCHEMBL904548 0.81 NOS1 (0.39) GRIN2BPSEN1PSEN2APH1BNCSTN
SCHEMBL904540 0.81 PTGIR (0.48) GRIN2BCHRM4GPR119
SCHEMBL904431 0.80 CYP19A1 (0.43) GRIN2BGPR119BCHEACHE
SCHEMBL904414 0.80 RAB9A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904517 0.80 BCHE (0.37) CHRM4CHRM2PSEN1PSEN2APH1B
SCHEMBL904535 0.78 ALDH1A1 (0.46) GRIN2BNOS2BCHEALDH1A1ACHE
SCHEMBL904611 0.78 FAAH (0.46) GRIN2BFAAHCYP2C19CHRM4CHRM2
SCHEMBL904566 0.77 OPRM1 (0.38) GRIN2BCHRM4BCHEACHE
SCHEMBL904461 0.76 PTGIR (0.45) GRIN2BCHRM4CHRM2NOS2BCHE

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 GRIN2B 119/4885FAAH 172/4885CYP2C19 1682/4885

“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.