SCHEMBL30945561

SCHEMBL30945561

Cc1ccnc([C@H]2C[C@@H]2c2cnc3ccccc3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
CYP1A2 P05177 1/20 0.43
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
HTR3A P46098 1/20 0.35
CYP2A6 P11509 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
CHRNA7 P36544 1/20 0.34
TNF P01375 1/20 0.34
KDR P35968 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
SCHEMBL30945553 0.84 ALDH1A1 (0.45) SLC6A4CHRNA7
SCHEMBL29830104 0.84 SLC6A4 (0.35) SLC6A4CHRNA7TNF
SCHEMBL27030396 0.84 SLC6A4 (0.35) SLC6A4CHRNA7TNF
SCHEMBL29830542 0.81 CHRNA7 (0.37) SLC6A4KDM1ACHRNA7
SCHEMBL30945591 0.78 NPC1 (0.38) CYP1A2HTR3A
SCHEMBL27030430 0.78 NPC1 (0.37) KDR
SCHEMBL27030249 0.77 EGFR (0.35) CHRNA7
SCHEMBL29830347 0.77 EGFR (0.35) CHRNA7
SCHEMBL30945539 0.76 PDE10A (0.47) CYP1A2
SCHEMBL27030155 0.73 RAB9A (0.37) CHRNA7KDR

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-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-06-20 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-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 SLC6A4 4139/4885CYP1A2 2780/4885KDM1A 859/4885

“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.