SCHEMBL8499455

SCHEMBL8499455

CN1CCc2c(nc[nH]c2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GRIA1 P42261 3/20 0.35
GRIA2 P42262 3/20 0.35
GRIA3 P42263 3/20 0.35
GRIA4 P48058 3/20 0.35
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
SRC P12931 2/20 0.35
CYP2C19 P33261 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL8485777 0.87 CYP2C19 (0.39) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL22512460 0.80 ALDH1A1 (0.41) ALDH1A1KDM4ERXFP1GRIA1GRIA2
SCHEMBL7880686 0.75 CYP2C19 (0.42) KDM4ECYP2C19
SCHEMBL1073971 0.74
Hydrochloric Acid SCHEMBL9582962 0.74 CYP2C19 (0.41) KDM4ECYP2C19
SCHEMBL20738661 0.73 KDM4E (0.41) ALDH1A1KDM4ERXFP1SRC
SCHEMBL2795751 0.72 PARP1 (0.51) KDM4ERXFP1
SCHEMBL13074167 0.72 KDM4E (0.63) ALDH1A1KDM4ERXFP1
SCHEMBL11995146 0.72 AKT1 (0.44) KDM4ECYP2C19
SCHEMBL20836286 0.71 HTT (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 US disclosed
US-11655245-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2023-05-23 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 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 (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-11655245-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, P2RX3 ALDH1A1 665/4885KDM4E 3914/4885RXFP1 124/4885
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A ALDH1A1 87/4885KDM4E 3280/4885RXFP1 96/4885

“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.