SCHEMBL25820187

SCHEMBL25820187

Cc1nccc(CC(C)C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
XIAP P98170 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HASPIN Q8TF76 1/20 0.31
DYRK2 Q92630 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL15409684 0.82
SCHEMBL25820190 0.80 GABRA1 (0.38) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL30073071 0.77 NOS3 (0.36) GABRA1GABRB2KDM4EPOLBSMN1; SMN2
SCHEMBL22863918 0.73 AAK1 (0.33) KDM4EPOLBSMN1; SMN2ENPP3ALPL
SCHEMBL2084548 0.72 GABRA1 (0.47) GABRA1GABRB2KDM4E
SCHEMBL9449303 0.72 PTGDR (0.33) GABRA1GABRB2POLBPTGDR2HASPIN
SCHEMBL24858107 0.71 CCNC (0.37) KDM4ESMN1; SMN2PTGDR2HPGDHSD17B10
SCHEMBL23022509 0.69 CYP2A6 (0.33) GABRA1POLBTLR9TLR8TLR7
SCHEMBL28052769 0.69 TYR (0.40) KDM4EHTR2AHTR2CHTR2BPTGDR2
SCHEMBL18770871 0.69 TYR (0.40) KDM4EHTR2AHTR2CHTR2BPTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
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 (2 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 GABRA1 3307/4885GABRB2 2323/4885KDM4E 4095/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GABRA1 3364/4885GABRB2 2245/4885KDM4E 4219/4885

“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.