SCHEMBL1495846

SCHEMBL1495846

COC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 2/20 0.43
MGLL Q99685 1/20 0.43
BRD4 O60885 1/20 0.42
KDM4A O75164 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NOTUM Q6P988 1/20 0.42
GAA P10253 1/20 0.42
LCK P06239 1/20 0.42
AVPR2 P30518 1/20 0.42
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NAMPT P43490 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 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
SCHEMBL15862086 0.89 KDM4A (0.44) EPHX2ALDH1A1BRD4KDM4ALMNA
SCHEMBL1495979 0.88 EPHX2 (0.64) EPHX2ALDH1A1BRD4KDM4AMAPT
SCHEMBL12231412 0.85 MAPT (0.47) ALDH1A1MGLLBRD4KDM4AMAPT
SCHEMBL12231188 0.85 EPHX2 (0.50) EPHX2ALDH1A1KDM4ALMNAHDAC10
SCHEMBL1495955 0.85 EPHX2 (0.50) EPHX2KDM4ANOTUM
SCHEMBL2441663 0.85 NOTUM (0.48) ALDH1A1BRD4KDM4ALMNAMAPT
SCHEMBL15171404 0.83 NPC1 (0.52) EPHX2ALDH1A1KDM4AKDM4ESMN1; SMN2
SCHEMBL12230860 0.83 NOTUM (0.45) ALDH1A1BRD4KDM4ALMNAMAPT
SCHEMBL12680216 0.82 GFER (0.47) EPHX2ALDH1A1BRD4KDM4AMEN1
SCHEMBL23535771 0.82 KDM4A (0.41) ALDH1A1BRD4KDM4ALMNAMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
CN-102617580-B Vasopressin v1a antagonists VANTIA LTD 2015-03-04 CN disclosed
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC EPHX2 774/4885ALDH1A1 1181/4885MGLL 1662/4885
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B EPHX2 3647/4885ALDH1A1 902/4885MGLL 4217/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B EPHX2 3647/4885ALDH1A1 902/4885MGLL 4217/4885

“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.