SCHEMBL25820132

SCHEMBL25820132

Cc1cccc2nccc(CC(C)C)c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.40
PARP1 P09874 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.36
CTRB1 P17538 1/20 0.33
ALOX5AP P20292 1/20 0.32

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
SCHEMBL25820073 0.82 PARP1 (0.38) PARP1GABRA1GABRB2LOXL2ALOX5AP
SCHEMBL24170711 0.81 ELANE (0.40) ELANEPARP1LOXL2
SCHEMBL28166591 0.81 ELANE (0.46) ELANEPARP1LOXL2
SCHEMBL25820084 0.80 ALOX5AP (0.37) GABRA1GABRB2LOXL2ALOX5AP
SCHEMBL8404515 0.76 ELANE (0.50) ELANEPARP1
SCHEMBL2494065 0.75 LOXL2 (0.58) ELANELOXL2
SCHEMBL23371782 0.74 ELANE (0.46) ELANEPARP1GABRA1GABRB2LOXL2
SCHEMBL827170 0.74 ELANE (0.42) ELANEPARP1GABRA1GABRB2CTRB1
SCHEMBL25820134 0.73 HTR1A (0.53) PARP1GABRA1GABRB2
SCHEMBL14010021 0.72 LOXL2 (0.38) GABRA1GABRB2LOXL2

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 ELANE 1623/4885PARP1 2894/4885GABRA1 3307/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ELANE 2543/4885PARP1 2205/4885GABRA1 3364/4885

“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.