SCHEMBL1495902

SCHEMBL1495902

CC(C)(C)OC(=O)NCc1ccc(C(=O)O)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.64
NR1H4 Q96RI1 4/20 0.64
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4A O75164 1/20 0.42
MAPT P10636 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 1/20 0.40
TRPA1 O75762 1/20 0.40
NAMPT P43490 1/20 0.40
PPARD Q03181 1/20 0.39
KCNA5 P22460 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BRD4 O60885 1/20 0.39
BDKRB1 P46663 1/20 0.39

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
SCHEMBL15862351 0.90 EPHX2 (0.51) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL1495955 0.88 EPHX2 (0.50) EPHX2NR1H4KDM4ABDKRB1
SCHEMBL23832914 0.87 EPHX2 (0.49) EPHX2NR1H4KDM4AHDAC1HDAC10
SCHEMBL30193009 0.87 EPHX2 (0.49) EPHX2NR1H4KDM4AHDAC1HDAC10
SCHEMBL17059395 0.86 NR1H4 (0.48) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL15729681 0.86 EPHX2 (0.54) EPHX2NR1H4HTTKDM4AHDAC1
SCHEMBL507345 0.86 EPHX2 (0.48) EPHX2NR1H4KDM4AHDAC1HDAC10
SCHEMBL30739196 0.86 EPHX2 (0.48) EPHX2NR1H4KDM4AHDAC1HDAC10
SCHEMBL1495979 0.85 EPHX2 (0.64) EPHX2NR1H4RAB9AKDM4AMAPT
SCHEMBL30739096 0.85 EPHX2 (0.47) EPHX2NR1H4KDM4AHDAC1HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
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
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 EP disclosed
CN-102617580-B Vasopressin v1a antagonists VANTIA LTD 2015-03-04 CN disclosed
CN-102617580-A Vasopressin V1a Antagonists FERRING BV 2012-08-01 CN disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
CN-1751050-A Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING BV (NL) 2006-03-22 CN disclosed
EP-1632494-A1 Vasopressin v1a antagonists FERRING B.V. (NL) 2006-03-08 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
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed
EP-1512687-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2005-03-09 EP disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP 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-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 EPHX2 3190/4885NR1H4 189/4885LMNA 3899/4885

“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.