SCHEMBL27018293

SCHEMBL27018293

CN1CCNCc2cccc(c2)CNCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.41
APEX1 P27695 2/20 0.39
HTR2A P28223 5/20 0.38
HTR2B P41595 4/20 0.38
ADRB1 P08588 2/20 0.38
ASIC3 Q9UHC3 1/20 0.36
TERT O14746 1/20 0.35
ADRA2C P18825 1/20 0.35
ACHE P22303 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
SCHEMBL3113400 0.89 ACHE (0.39) HTR2CAPEX1HTR2AHTR2BASIC3
SCHEMBL30050918 0.78 APEX1 (0.60) HTR2CAPEX1HTR2AHTR2BADRB1
SCHEMBL18128899 0.78 APEX1 (0.60) HTR2CAPEX1HTR2AHTR2BADRB1
SCHEMBL29386754 0.78 APEX1 (0.60) HTR2CAPEX1HTR2AHTR2BADRB1
SCHEMBL14067586 0.77 ACHE (0.38) HTR2CACHE
SCHEMBL19089065 0.75 APEX1 (0.42) APEX1TERT
SCHEMBL21955684 0.75 APEX1 (0.42) APEX1TERT
SCHEMBL4359812 0.75
SCHEMBL12691712 0.74 CXCR4 (0.60) HTR2CHTR2AADRB1
SCHEMBL27351093 0.74 APEX1 (0.46) HTR2CAPEX1HTR2AADRB1TERT

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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN ALPHA-9 ONCOLOGY INC. (CA) 2024-01-18 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-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C HTR2C 4084/4885APEX1 2397/4885HTR2A 3947/4885

“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.