SCHEMBL904491

SCHEMBL904491

CN1CCN(C(=O)OCC2CCC(OC(=O)NCc3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.53
F2 P00734 1/20 0.53
TPSAB1 Q15661 5/20 0.49
TPSD1 Q9BZJ3 5/20 0.49
TPSG1 Q9NRR2 5/20 0.49
KDM1A O60341 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
APP P05067 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KCNA3 P22001 1/20 0.41
BCHE P06276 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 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
SCHEMBL904636 0.89 PRSS1 (0.55) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL904573 0.88 MEN1 (0.51) PRSS1F2TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL904616 0.87 PRSS1 (0.49) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL15199818 0.80 PRSS1 (0.44) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL904430 0.80 TPSAB1 (0.48) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL904450 0.80 GAA (0.46) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL27962920 0.80 CHRM3 (0.56) PRSS1F2MEN1KMT2ABCHE
SCHEMBL15199819 0.79 TPSAB1 (0.47) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL904539 0.79 NAMPT (0.46) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL15198661 0.78 TPSAB1 (0.46) PRSS1F2TPSAB1TPSD1TPSG1

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 11 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
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
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 PRSS1 3843/4885F2 4279/4885TPSAB1 2943/4885

“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.