SCHEMBL904523

SCHEMBL904523

O=C(NCc1ccncc1)OC1CCC(CNC(=O)C2CCCC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.47
EPHX1 P07099 2/20 0.46
MAPT P10636 2/20 0.46
CYP19A1 P11511 3/20 0.45
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HDAC6 Q9UBN7 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL904456 0.82 TPSAB1 (0.48) NAMPTEPHX1MAPTCYP19A1
SCHEMBL10352908 0.79 MAPT (0.64) EPHX1MAPTALDH1A1USP2HPGD
SCHEMBL904522 0.78 EPHX1 (0.44) EPHX1MAPTCYP19A1HPGD
SCHEMBL904430 0.75 TPSAB1 (0.48) NAMPTEPHX1MAPTCYP19A1
SCHEMBL4960188 0.74 MAPT (0.72) EPHX1MAPTCYP19A1ALDH1A1USP2
SCHEMBL7327230 0.73 EPHX1 (0.56) NAMPTEPHX1HPGDHTT
SCHEMBL5469953 0.73 ALDH1A1 (0.51) MAPTALDH1A1USP2HPGD
SCHEMBL5469955 0.73 ALDH1A1 (0.51) MAPTALDH1A1USP2HPGD
SCHEMBL14428878 0.71 MAPT (0.61) NAMPTEPHX1MAPTALDH1A1USP2
SCHEMBL4523808 0.71 EPHX1 (0.88) EPHX1MAPTHDAC6

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 NAMPT 2935/4885EPHX1 1062/4885MAPT 1937/4885

“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.