SCHEMBL904526

SCHEMBL904526

O=C(Nc1cccc[n+]1[O-])OC1CCC(COC(=O)N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.38
MAOB P27338 3/20 0.38
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
PRSS1 P07477 2/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
KDM1A O60341 1/20 0.35
CHRM3 P20309 3/20 0.35
F2 P00734 1/20 0.35
ACHE P22303 1/20 0.35
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ENPP2 Q13822 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
SCHEMBL15198662 0.84 PRSS1 (0.38) BCHEMAOBPSEN1PSEN2APH1B
SCHEMBL904678 0.83 F2 (0.35) BCHEMAOBPSEN1PSEN2APH1B
SCHEMBL904815 0.78 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904546 0.78 NOS2 (0.53)
SCHEMBL15198661 0.77 TPSAB1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL904574 0.76 CYP2D6 (0.43) BCHEMAOBACHEDPP4PREP
SCHEMBL17188627 0.76 PRSS1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15198665 0.75 DPP4 (0.45) DPP4DPP7
SCHEMBL904636 0.75 PRSS1 (0.55) BCHEMAOBPRSS1TPSAB1TPSD1
SCHEMBL904525 0.74 TPSAB1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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 BCHE 1602/4885MAOB 4223/4885PSEN1 3800/4885

“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.