SCHEMBL3878210

SCHEMBL3878210

CC(C)(C)OC(=O)C(O)C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.42
CPB2 Q96IY4 2/20 0.42
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.32
OPRK1 P41145 1/20 0.32
BTK Q06187 1/20 0.31
GAA P10253 1/20 0.31
EPHX1 P07099 2/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL5194117 0.95 CPN1 (0.38) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL28103000 0.90 CPN1 (0.31) CPN1CPB2SLC6A1SLC6A11SLC6A13
SCHEMBL4436455 0.83 GAA (0.32) SMN1; SMN2GAA
SCHEMBL1919959 0.83 CPN1 (0.41) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL20594008 0.83 CPN1 (0.41) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL27371104 0.83 CPN1 (0.41) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL20594016 0.83 CPN1 (0.41) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL27678408 0.83 CPN1 (0.41) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL4272078 0.82 CPN1 (0.47) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL6216734 0.81 CPN1 (0.42) CPN1CPB2SLC6A1SLC6A11TSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470934-B Kinases inhibitor 爱仕达生物技术有限责任公司 2017-08-04 CN disclosed
CN-106795152-A Protein kinase inhibitors 安斯达尔生物技术有限责任公司 2017-05-31 CN disclosed
CN-104470934-A Protein kinase inhibitors ASTAR BIOTECH LLC 2015-03-25 CN disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20070249676-A1 Cyanoguanidine prodrugs LEO PHARMA A/S (DK) 2007-10-25 US disclosed
US-7253193-B2 Cyanoguanidine prodrugs LEO PHARMA A/S (DK) 2007-08-07 US disclosed
EP-1507760-B1 CYANOGUANIDINE PRODRUGS LEO PHARMA AS (DK) 2007-08-01 EP disclosed
EP-1670783-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
US-20050215588-A1 Cyanoguanidine prodrugs LEO PHARMA A/S (DK) 2005-09-29 US disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 WO disclosed
EP-1507760-A1 CYANOGUANIDINE PRODRUGS Leo Pharma A/S (DK) 2005-02-23 EP disclosed
WO-2003097601-A1 CYANOGUANIDINE PRODRUGS LEO PHARMA A/S (DK) 2003-11-27 WO disclosed
CN-1044365-C Alpha, omega-diarylalkane derivatives, their preparation and their use in the treatment and prevention of circulatory diseases and psychosis SANKYO CO (JP) 1999-07-28 CN 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 (3 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-20070249676-A1 Cyanoguanidine prodrugs CCNT1, CCND2, CCNT2 CPN1 187/4885CPB2 553/4885SLC6A1 2928/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 CPN1 3694/4885CPB2 4102/4885SLC6A1 3282/4885
US-20050215588-A1 Cyanoguanidine prodrugs CCNT1, CCND2, CCNT2 CPN1 187/4885CPB2 553/4885SLC6A1 2928/4885

“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.