SCHEMBL904582

SCHEMBL904582

O=C(Nc1ccnc(Cl)c1)OC1CCC(COC(=O)N2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.41
NOS2 P35228 3/20 0.41
SMARCA2 P51531 2/20 0.40
SMARCA4 P51532 2/20 0.40
BCHE P06276 7/20 0.38
MAOB P27338 6/20 0.38
NOS3 P29474 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
ACHE P22303 1/20 0.37
MGLL Q99685 1/20 0.37
DPP4 P27487 2/20 0.37
PREP P48147 2/20 0.37
DPP7 Q9UHL4 2/20 0.37

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
SCHEMBL904440 0.88 BCHE (0.38) BCHEMAOBALDH1A1ACHEDPP4
SCHEMBL904574 0.86 CYP2D6 (0.43) BCHEMAOBACHEDPP4PREP
SCHEMBL904547 0.84 TPSAB1 (0.42) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL904441 0.80 NOS1 (0.38) NOS1NOS2NOS3ALDH1A1HPGD
SCHEMBL904548 0.80 NOS1 (0.39) NOS1NOS2BCHENOS3ALDH1A1
SCHEMBL904546 0.80 NOS2 (0.53) NOS1NOS2NOS3KDM4E
SCHEMBL904611 0.77 FAAH (0.46) NOS2ALDH1A1HPGD
SCHEMBL904413 0.75 TPSAB1 (0.45) ALDH1A1
SCHEMBL904588 0.75 DPP4 (0.45) NOS1NOS2NOS3ALDH1A1DPP4
SCHEMBL904430 0.74 TPSAB1 (0.48)

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 NOS1 2764/4885NOS2 1768/4885SMARCA2 1842/4885

“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.