SCHEMBL31244690

SCHEMBL31244690

O=c1[nH]ncc(N2CCC2)c1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ TRPC5 Q9UL62 7/20 0.50
▸ TIPARP Q7Z3E1 6/20 0.37
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR6 P50406 1/20 0.35

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
SCHEMBL20818389 0.72 TRPC5 (0.73) POLBALDH1A1TRPC5
SCHEMBL25616990 0.71 POLB (0.65) POLBALDH1A1TRPC5TIPARPHTR1A
SCHEMBL20831509 0.71 TRPC5 (0.54) ALDH1A1TRPC5HTR1AHTR7
SCHEMBL31244613 0.71 POLB (0.55) POLBALDH1A1TRPC5TIPARPHTR1A
SCHEMBL31244746 0.71 TIPARP (0.65) POLBALDH1A1TRPC5TIPARPHTR1A
SCHEMBL24763742 0.71 TIPARP (0.59) POLBALDH1A1TRPC5TIPARP
SCHEMBL31244835 0.71 POLB (0.55) POLBALDH1A1TRPC5TIPARPHTR1A
SCHEMBL20818713 0.69 TRPC5 (0.80) ALDH1A1TRPC5
SCHEMBL17586677 0.68 POLB (0.40) POLBALDH1A1TRPC5TIPARP
SCHEMBL31244680 0.68 POLB (0.51) POLBALDH1A1TRPC5TIPARP

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 claimed

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 POLB 38/4885ALDH1A1 1842/4885TRPC5 3665/4885

“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.

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