SCHEMBL904574

SCHEMBL904574

O=C(Nc1ccncc1)OC1CCC(COC(=O)N2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GRIN2B Q13224 1/20 0.43
BCHE P06276 8/20 0.43
MAOB P27338 5/20 0.43
CYP19A1 P11511 1/20 0.42
DPP4 P27487 6/20 0.41
DPP7 Q9UHL4 6/20 0.41
PREP P48147 4/20 0.41
ACHE P22303 1/20 0.40
PTGIR P43119 1/20 0.40

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
SCHEMBL904582 0.86 NOS1 (0.41) BCHEMAOBDPP4DPP7PREP
SCHEMBL904430 0.85 TPSAB1 (0.48) CYP2D6CYP2C9GRIN2BCYP19A1
SCHEMBL904440 0.83 BCHE (0.38) BCHEMAOBDPP4DPP7PREP
SCHEMBL904628 0.83 TPSAB1 (0.47) CYP2D6CYP2C9GRIN2BCYP19A1
SCHEMBL904644 0.83 MAPT (0.50) CYP2D6CYP2C9GRIN2BCYP19A1
SCHEMBL904546 0.82 NOS2 (0.53) CYP2D6CYP2C9GRIN2B
SCHEMBL904583 0.78 CYP19A1 (0.38) CYP2D6CYP2C9GRIN2BCYP19A1PTGIR
SCHEMBL904431 0.78 CYP19A1 (0.43) CYP2D6CYP2C9GRIN2BBCHECYP19A1
SCHEMBL904514 0.78 TSHR (0.45)
SCHEMBL27928039 0.78 PTGIR (0.59) BCHEMAOBACHEPTGIR

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 CYP2D6 708/4885CYP2C9 1834/4885GRIN2B 119/4885

“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.