SCHEMBL904525

SCHEMBL904525

O=C(NCCc1ccc[n+]([O-])c1)OC1CCC(COC(=O)N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.38
TPSD1 Q9BZJ3 3/20 0.38
TPSG1 Q9NRR2 3/20 0.38
PRSS1 P07477 3/20 0.36
F2 P00734 2/20 0.36
PLG P00747 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GPR84 Q9NQS5 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FKBP1A P62942 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL17188627 0.91 PRSS1 (0.41) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL904450 0.86 GAA (0.46) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL904678 0.83 F2 (0.35) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL904433 0.81 CYP3A4 (0.43) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL904628 0.81 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL15198661 0.81 TPSAB1 (0.46) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL15199818 0.80 PRSS1 (0.44) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL15198666 0.79 DPP4 (0.48) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL904636 0.78 PRSS1 (0.55) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL904460 0.77 RAB9A (0.44) ALDH1A1TSHRRAB9ASMN1; SMN2

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 TPSAB1 2943/4885TPSD1 3074/4885TPSG1 4178/4885

“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.