Sugi Predict

Sugi Predict / Compounds / SCHEMBL904678

SCHEMBL904678

SCHEMBL904678

O=C(NCCc1cccc[n+]1[O-])OC1CCC(COC(=O)N2CCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.35
▸ PRSS1 P07477 3/20 0.35
▸ TPSAB1 Q15661 3/20 0.35
▸ TPSD1 Q9BZJ3 3/20 0.35
▸ TPSG1 Q9NRR2 3/20 0.35
▸ F10 P00742 2/20 0.35
▸ CHRM2 P08172 2/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ KDM1A O60341 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
SCHEMBL15198662 0.91 PRSS1 (0.38) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL904450 0.83 GAA (0.46) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL904526 0.83 BCHE (0.38) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL904525 0.83 TPSAB1 (0.38) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL904815 0.81 PSEN1 (0.37) PRSS1TPSAB1TPSD1TPSG1PSEN1
SCHEMBL904460 0.79 RAB9A (0.44) KDM4E
SCHEMBL15198665 0.78 DPP4 (0.45) DRD2
SCHEMBL904628 0.78 TPSAB1 (0.47) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL15198661 0.78 TPSAB1 (0.46) F2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL904433 0.77 CYP3A4 (0.43) TPSAB1TPSD1TPSG1KDM4E

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 7 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-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 F2 4279/4885PRSS1 3843/4885TPSAB1 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.