SCHEMBL17459934

SCHEMBL17459934

C#CC1=CC(NC(=O)O)CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.31
DRD4 P21917 4/20 0.31
DRD3 P35462 4/20 0.31
DRD1 P21728 2/20 0.31
HTR2A P28223 2/20 0.31

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
SCHEMBL15415721 0.82 NPC1 (0.34)
SCHEMBL1137192 0.72 DRD2 (0.39) DRD2DRD4DRD3DRD1HTR2A
SCHEMBL17459916 0.69 TRPA1 (0.34)
SCHEMBL25418098 0.66 P2RX7 (0.43)
SCHEMBL18059664 0.66 P2RX7 (0.43)
SCHEMBL25259580 0.66 P2RX7 (0.43)
SCHEMBL16338349 0.66 P2RX7 (0.39)
SCHEMBL13836558 0.63 NFKB1 (0.44)
SCHEMBL18550841 0.62
Hydrochloric Acid SCHEMBL17459947 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200101068-A1 Heteroaryl Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2020-04-02 US disclosed
EP-3337802-A1 HETEROARYL DERIVATIVES AS PARP INHIBITORS Lupin Limited (IN) 2018-06-27 EP disclosed
WO-2017029601-A1 HETEROARYL DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2017-02-23 WO disclosed
WO-2016012956-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2016-01-28 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 (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-20200101068-A1 Heteroaryl Derivatives as PARP Inhibitors PARP1, PARP2, PARP3 DRD2 2007/4885DRD4 3481/4885DRD3 2148/4885

“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.