SCHEMBL1495989

SCHEMBL1495989

CN(CCNC(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
DRD2 P14416 2/20 0.37
CA7 P43166 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL13744596 0.94 EPHX1 (0.45) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL24951947 0.94 EPHX1 (0.54) EPHX1TDP1MEN1KMT2AGAA
Bicarbonate SCHEMBL5548474 0.93 EPHX1 (0.44) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL6896596 0.92 EPHX1 (0.56) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL21244678 0.90 EPHX1 (0.42) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL24951478 0.90 EPHX1 (0.44) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL4622655 0.90 EPHX1 (0.44) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL15778776 0.89 EPHX1 (0.41) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL21244986 0.89 EPHX1 (0.43) EPHX1TDP1MEN1KMT2AGAA
SCHEMBL28174703 0.88 EPHX1 (0.40) EPHX1TDP1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023203254-A2 EFFECTIVE MEANS TO MODULATE NMDA RECEPTOR-MEDIATED TOXICITY FUNDAMENTAL PHARMA GMBH (DE) 2023-10-26 WO disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP 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
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B EPHX1 2718/4885TDP1 3665/4885MEN1 977/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B EPHX1 2718/4885TDP1 3665/4885MEN1 977/4885

“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.