SCHEMBL23979222

SCHEMBL23979222

CC(C)(C)c1cn(C(C)(C)CCC(C)(C)n2cc(C(C)(C)C)nn2)nn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 1/20 0.35
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL18972971 0.90 DPP4 (0.33) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL18077443 0.86 GABRA2 (0.35) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL18862134 0.82 GABRA2 (0.32) GABRA2GABRB2
SCHEMBL18367628 0.81 DPP4 (0.33) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL20997333 0.81 DPP4 (0.33) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL10089709 0.80 GABRA2 (0.42) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL21163393 0.80
SCHEMBL19589452 0.78 GRN (0.37) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL18812323 0.77 GABRA2 (0.37) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL22030529 0.77 GABRA2 (0.37) GABRA2GABRB2HRH4HRH3DPP4

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 4 patents. 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
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-04-13 US disclosed
US-20220017495-A1 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-01-20 US disclosed
US-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-11-04 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 (4 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-20210338851-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 GABRA2 3100/4885GABRB2 2439/4885HRH4 46/4885
US-20240018110-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN KLK3, FOLH1, TMEM14C GABRA2 1471/4885GABRB2 1542/4885HRH4 1477/4885
US-20230114807-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN FOLH1, KLK3, PSMA3 GABRA2 3100/4885GABRB2 2439/4885HRH4 46/4885
US-20220017495-A1 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE NUCB2, RNPEP, MME GABRA2 2917/4885GABRB2 1510/4885HRH4 3160/4885

“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.