SCHEMBL31245017

SCHEMBL31245017

O=C(CCOCC1CCN1)N1CCN2c3ncc(C4CC4)cc3OCC2C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 20/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
PARP2 Q9UGN5 2/20 0.53
PARP1 P09874 1/20 0.53
PARP12 Q9H0J9 1/20 0.53
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL31245156 0.97 TIPARP (0.52) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245102 0.95 TIPARP (0.52) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245064 0.90 TIPARP (0.52) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245374 0.88 TIPARP (0.52) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245173 0.87 TIPARP (0.69) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245228 0.87 TIPARP (0.54) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245429 0.86 TIPARP (0.50) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245106 0.85 TIPARP (0.52) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245248 0.84 TIPARP (0.51) TIPARPCYP2C9CYP2C19PARP2PARP1
SCHEMBL31245392 0.83 TIPARP (0.49) TIPARPCYP2C9CYP2C19PARP2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336629-A1 Tricyclic Derivatives Useful As PARP7 Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-10-10 US 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-20240336629-A1 Tricyclic Derivatives Useful As PARP7 Inhibitors PARP1, PARP2, PARP11 TIPARP 92/4885CYP2C9 1795/4885CYP2C19 455/4885

“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.