SCHEMBL904530

SCHEMBL904530

O=C(NCc1ccc(C(F)(F)F)nc1)OC1CCC(COC(=O)N2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
ADORA2A P29274 1/20 0.43
TPSAB1 Q15661 3/20 0.42
TPSD1 Q9BZJ3 3/20 0.42
TPSG1 Q9NRR2 3/20 0.42
PRSS1 P07477 2/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
CHRNA7 P36544 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38

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
SCHEMBL904413 0.87 TPSAB1 (0.45) NAMPTTPSAB1TPSD1TPSG1PRSS1
SCHEMBL904539 0.81 NAMPT (0.46) NAMPTTPSAB1TPSD1TPSG1PRSS1
SCHEMBL904597 0.81 DPP4 (0.43) NAMPTADORA2ATPSAB1TPSD1TPSG1
SCHEMBL904430 0.81 TPSAB1 (0.48) NAMPTTPSAB1TPSD1TPSG1PRSS1
SCHEMBL904636 0.80 PRSS1 (0.55) TPSAB1TPSD1TPSG1PRSS1ALDH1A1
SCHEMBL15198661 0.79 TPSAB1 (0.46) TPSAB1TPSD1TPSG1PRSS1TSHR
SCHEMBL904547 0.79 TPSAB1 (0.42) TPSAB1TPSD1TPSG1PRSS1KDM4E
SCHEMBL904531 0.78 GPBAR1 (0.38)
SCHEMBL15199819 0.78 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PRSS1F2
SCHEMBL904606 0.76 HPGD (0.46) ADORA2AKDM4EALDH1A1TSHR

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 NAMPT 2935/4885ADORA2A 111/4885TPSAB1 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.