SCHEMBL904531

SCHEMBL904531

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.38
MAP4K4 O95819 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGIR P43119 3/20 0.35
LIPE Q05469 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
ALOX15 P16050 1/20 0.35
USP30 Q70CQ3 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
EPHX2 P34913 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL904414 0.86 RAB9A (0.43) PTGIRBCL9CTNNB1PSEN1PSEN2
SCHEMBL904540 0.81 PTGIR (0.48) PTGIRGPR119
SCHEMBL904431 0.81 CYP19A1 (0.43) PTGIRHRH3GPR119
SCHEMBL904530 0.78 NAMPT (0.44)
SCHEMBL904548 0.78 NOS1 (0.39) HPGDSMN1; SMN2PTGIRBCL9CTNNB1
SCHEMBL904607 0.76 PTGIR (0.46) SMN1; SMN2PTGIRHRH3
SCHEMBL904566 0.76 OPRM1 (0.38) MAP4K4PTGIRBCL9CTNNB1
SCHEMBL904517 0.75 BCHE (0.37) MAP4K4BCL9CTNNB1PSEN1PSEN2
SCHEMBL904612 0.74 GRIN2B (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904597 0.72 DPP4 (0.43) SMN1; SMN2EPHX2

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 GPBAR1 124/4885MAP4K4 3005/4885HPGD 660/4885

“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.