SCHEMBL904414

SCHEMBL904414

CN(C(=O)OC1CCC(COC(=O)N2CCCC2)CC1)c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
PDE1C Q14123 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
KMT2A Q03164 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
PTGIR P43119 8/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
PTGDR Q13258 2/20 0.34
PTGER1 P34995 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
SCHEMBL904531 0.86 GPBAR1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904548 0.86 NOS1 (0.39) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL904540 0.83 PTGIR (0.48) PTGIR
SCHEMBL904431 0.83 CYP19A1 (0.43) PTGIRBCHEACHE
SCHEMBL904517 0.83 BCHE (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904612 0.80 GRIN2B (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904607 0.78 PTGIR (0.46) PTGIRBCHEACHE
SCHEMBL904566 0.78 OPRM1 (0.38) KMT2APTGIRBCHEACHEBCL9
SCHEMBL904413 0.78 TPSAB1 (0.45) RAB9APDE1CL3MBTL1CHRNB2CHRNA7
SCHEMBL904441 0.77 NOS1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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 RAB9A 4106/4885PDE1C 978/4885L3MBTL1 3327/4885

“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.