SCHEMBL25820092

SCHEMBL25820092

C#Cc1ccc2nccc(CC(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
EGFR P00533 3/20 0.33
GAK O14976 3/20 0.33
ROCK2 O75116 1/20 0.33
MAP3K14 Q99558 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
TYMS P04818 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 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
SCHEMBL25821192 0.85 CDK8 (0.45) GAKCCNCCDK8RIPK2COQ8A
SCHEMBL25821117 0.84 CDK8 (0.38) TRPV1EGFRGAKROCK2MAP3K14
SCHEMBL25820090 0.83 TRPV1 (0.38) TRPV1EGFRGAKROCK2MAP3K14
SCHEMBL25821116 0.80 MAP3K14 (0.38) TRPV1EGFRGAKROCK2MAP3K14
SCHEMBL25820095 0.78 HTR1A (0.51) TRPV1ROCK2LOXL2MTNR1AMTNR1B
SCHEMBL25820075 0.77 CCNC (0.42) TRPV1GAKROCK2CCNCCDK8
SCHEMBL25820130 0.77 KDM4E (0.43) TRPV1EGFRROCK2LOXL2MTNR1A
SCHEMBL25820108 0.75 IP6K1 (0.43) TRPV1EGFRROCK2LOXL2
SCHEMBL25820094 0.75 SLC22A12 (0.42) GABRA1TRPV1ROCK2LOXL2MTNR1A
SCHEMBL16289311 0.74 SMN1; SMN2 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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 3307/4885GABRG2 2994/4885GABRB3 1033/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GABRA1 3364/4885GABRG2 3125/4885GABRB3 994/4885

“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.