SCHEMBL25835627

SCHEMBL25835627

Cc1nccc(CC(C)I)c1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 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
SCHEMBL25820190 0.84 GABRA1 (0.38) CYP2A6PDE3BPDE3A
SCHEMBL7471392 0.81 CYP2A6 (0.31) CYP2A6
SCHEMBL156074 0.75 CYP2A6 (0.34) CYP2A6PDE3BPDE3A
SCHEMBL3801869 0.73 NOS2 (0.38) CYP2A6PDE3BPDE3A
SCHEMBL4795960 0.71 KDM4E (0.41) CYP2A6
SCHEMBL7396568 0.71 CYP2A6 (0.34) CYP2A6
SCHEMBL1931165 0.71 LOXL2 (0.45) CYP2A6
SCHEMBL28201879 0.69 CYP2A6 (0.33) CYP2A6
SCHEMBL10647777 0.68 DYRK1A (0.40) CYP2A6
SCHEMBL7696876 0.67 CYP2A6 (0.31) CYP2A6

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CYP2A6 2951/4885PDE3B 479/4885PDE3A 350/4885

“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.