SCHEMBL904565

SCHEMBL904565

Cc1cccc(CNC(=O)OC2CCC(COC(=O)N3CCCC3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
PDE8B O95263 2/20 0.38
PRSS1 P07477 2/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
CYP1A2 P05177 1/20 0.37
GRM5 P41594 1/20 0.37
PDE8A O60658 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DPP4 P27487 1/20 0.37
ACKR3 P25106 1/20 0.37
POLB P06746 1/20 0.36
F2 P00734 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL904516 0.89 PRSS1 (0.39) PRSS1TPSAB1TPSD1TPSG1F2
SCHEMBL904514 0.84 TSHR (0.45) KMT2ACYP1A2GRM5NPC1RAB9A
SCHEMBL904606 0.84 HPGD (0.46) KMT2ANOS2KDM4EMEN1ALDH1A1
SCHEMBL904820 0.83 HPGD (0.47) KMT2ANOS2KDM4EMEN1ALDH1A1
SCHEMBL904636 0.80 PRSS1 (0.55) KMT2APRSS1TPSAB1TPSD1TPSG1
SCHEMBL904497 0.80 DPP4 (0.43) KMT2ADPP4KDM4EMEN1ALDH1A1
SCHEMBL904430 0.79 TPSAB1 (0.48) PRSS1TPSAB1TPSD1TPSG1F2
SCHEMBL904539 0.78 NAMPT (0.46) PRSS1TPSAB1TPSD1TPSG1F2
SCHEMBL904566 0.78 OPRM1 (0.38) KMT2ACYP1A2GRM5KDM4EP2RY12
SCHEMBL904460 0.77 RAB9A (0.44) NPC1RAB9ANOS2KDM4ECCNE1

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 KMT2A 2073/4885PDE8B 246/4885PRSS1 3843/4885

“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.