SCHEMBL30997769

SCHEMBL30997769

CN1CCN(c2cc(C3CC3)cn3cc(CNc4cncc(Cl)n4)nc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.38
▸ DRD2 P14416 6/20 0.38
▸ HTR2A P28223 5/20 0.38
▸ HRH4 Q9H3N8 5/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 2/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ KLKB1 P03952 1/20 0.30
▸ CSF1R P07333 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30

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
SCHEMBL24738259 1.00 HRH1 (0.38) HRH1DRD2HTR2AHRH4HRH3
SCHEMBL29302918 0.85 HRH4 (0.35) HRH1DRD2HRH4HRH3DRD4
SCHEMBL29879251 0.83 HRH4 (0.32) HRH4KLKB1
SCHEMBL24737991 0.83 HRH4 (0.32) HRH4KLKB1
SCHEMBL24738494 0.81 ADRA2B (0.37) HTR2AHRH4HRH3IGF1RKLKB1
SCHEMBL29879202 0.81 ADRA2B (0.37) HTR2AHRH4HRH3IGF1RKLKB1
SCHEMBL24737667 0.80 HRH4 (0.38) DRD2HRH4HRH3IGF1RDRD4
SCHEMBL30997777 0.79 ACHE (0.39) HRH4HRH3IGF1R
SCHEMBL30997764 0.79 HRH4 (0.36) DRD2HRH4HRH3CCNT1CDK9
SCHEMBL24737418 0.79 ACHE (0.39) HRH4HRH3IGF1R

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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 HRH1 2262/4885DRD2 4414/4885HTR2A 3223/4885

“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.

Send feedback