SCHEMBL904517

SCHEMBL904517

CN(C(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1cccc(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.37
ACHE P22303 2/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
P2RY12 Q9H244 2/20 0.35
CYP2D6 P10635 2/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PRSS1 P07477 2/20 0.34
TPSAB1 Q15661 1/20 0.34

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
SCHEMBL904566 0.89 OPRM1 (0.38) BCHEACHEBCL9CTNNB1P2RY12
SCHEMBL904607 0.84 PTGIR (0.46) BCHEACHECYP2D6HTTCHRM2
SCHEMBL904414 0.83 RAB9A (0.43) BCHEACHEBCL9CTNNB1PSEN1
SCHEMBL904548 0.80 NOS1 (0.39) BCHEACHEBCL9CTNNB1PSEN1
SCHEMBL904612 0.80 GRIN2B (0.39) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL904431 0.79 CYP19A1 (0.43) BCHEACHECYP2D6HTTCHRM5
SCHEMBL904516 0.78 PRSS1 (0.39) BCHEBCL9CTNNB1PSEN1PSEN2
SCHEMBL904540 0.78 PTGIR (0.48) CYP2D6CHRM4CHRM5CHRM1CHRM3
SCHEMBL904461 0.75 PTGIR (0.45) BCHEACHECHRM2CHRM4
SCHEMBL904531 0.75 GPBAR1 (0.38) BCL9CTNNB1PSEN1PSEN2APH1B

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 BCHE 1602/4885ACHE 110/4885BCL9 4632/4885

“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.