SCHEMBL31244693

SCHEMBL31244693

Brc1cnc2c(c1)OCC[C@@H]1CNCCN21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.45
HTR2C P28335 20/20 0.45
HTR2B P41595 19/20 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
SCHEMBL31244816 1.00 HTR2A (0.45) HTR2AHTR2CHTR2B
SCHEMBL31244677 1.00 HTR2A (0.45) HTR2AHTR2CHTR2B
SCHEMBL31244842 0.85 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL31244752 0.85 HTR2A (0.48) HTR2AHTR2CHTR2B
SCHEMBL31244812 0.85 HTR2A (0.48) HTR2AHTR2CHTR2B
SCHEMBL24640721 0.85 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL31244782 0.85 HTR2A (0.48) HTR2AHTR2CHTR2B
SCHEMBL31244734 0.85 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL31244747 0.84 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL24674706 0.83 HTR2A (0.42) HTR2AHTR2CHTR2B

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 HTR2A 1918/4885HTR2C 1125/4885HTR2B 726/4885

“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.