SCHEMBL904549

SCHEMBL904549

O=C(OC1CCC(COC(=O)N2CCCC2)CC1)N(Cl)Cc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.41
GRIN2B Q13224 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
SLC2A1 P11166 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
PRSS1 P07477 2/20 0.36
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36
F2 P00734 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 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
SCHEMBL904613 0.88 CYP2D6 (0.43) GRIN2BCYP2D6CYP2C9ALDH1A1KDM4E
SCHEMBL904583 0.85 CYP19A1 (0.38) CYP19A1GRIN2BCYP2D6CYP2C9HRH3
SCHEMBL904431 0.83 CYP19A1 (0.43) CYP19A1GRIN2BCYP2D6CYP2C9HRH3
SCHEMBL904629 0.80 CYP19A1 (0.40) CYP19A1GRIN2BCYP2D6CYP2C9HRH3
SCHEMBL904508 0.80 CYP2D6 (0.37) CYP19A1GRIN2BCYP2D6CYP2C9HRH3
SCHEMBL904644 0.79 MAPT (0.50) CYP19A1GRIN2BCYP2D6CYP2C9HRH3
SCHEMBL904430 0.79 TPSAB1 (0.48) CYP19A1GRIN2BCYP2D6CYP2C9PRSS1
SCHEMBL904628 0.78 TPSAB1 (0.47) CYP19A1GRIN2BCYP2D6CYP2C9HRH3
SCHEMBL904574 0.77 CYP2D6 (0.43) CYP19A1GRIN2BCYP2D6CYP2C9
SCHEMBL904540 0.76 PTGIR (0.48) GRIN2BCYP2D6CYP2C9CYP3A4GAA

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 CYP19A1 1365/4885GRIN2B 119/4885CYP2D6 708/4885

“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.