SCHEMBL904573

SCHEMBL904573

O=C(NCc1ccccc1)OC1CCC(COC(=O)N2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PRSS1 P07477 2/20 0.50
F2 P00734 1/20 0.50
TPSAB1 Q15661 2/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
BCHE P06276 5/20 0.44
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ACHE P22303 1/20 0.40
MAOB P27338 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) MEN1KMT2APRSS1F2TPSAB1
SCHEMBL904491 0.88 PRSS1 (0.53) MEN1KMT2APRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL904616 0.87 PRSS1 (0.49) MEN1KMT2APRSS1F2TPSAB1
SCHEMBL904816 0.85 ALDH1A1 (0.42) MEN1KMT2ANPSR1PRSS1TPSAB1
SCHEMBL15199818 0.80 PRSS1 (0.44) MEN1KMT2APRSS1F2TPSAB1
SCHEMBL904430 0.80 TPSAB1 (0.48) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL904450 0.80 GAA (0.46) MEN1KMT2APRSS1F2TPSAB1
SCHEMBL15199819 0.79 TPSAB1 (0.47) MEN1KMT2APRSS1F2TPSAB1
SCHEMBL904539 0.79 NAMPT (0.46) PRSS1F2TPSAB1TPSD1TPSG1
SCHEMBL15198661 0.78 TPSAB1 (0.46) MEN1KMT2APRSS1F2TPSAB1

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 MEN1 3370/4885KMT2A 2073/4885NPSR1 527/4885

“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.