SCHEMBL25820095

SCHEMBL25820095

Cc1ccc2nccc(CC(C)C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
ADRA1D P25100 4/20 0.51
ADRA1A P35348 4/20 0.51
ADRA1B P35368 4/20 0.51
ALDH1A1 P00352 2/20 0.40
PARP1 P09874 1/20 0.39
SLC22A12 Q96S37 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ROCK2 O75116 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
UHRF1 Q96T88 1/20 0.34

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
SCHEMBL25820133 0.88 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL25820130 0.82 KDM4E (0.43) ALDH1A1PARP1SLC22A12TRPV1KDM4E
SCHEMBL25820075 0.82 CCNC (0.42) PARP1TRPV1ROCK2
SCHEMBL12031050 0.81 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL25820108 0.80 IP6K1 (0.43) ALDH1A1TRPV1KDM4ELOXL2ROCK2
SCHEMBL25820094 0.80 SLC22A12 (0.42) SLC22A12TRPV1CYP19A1LOXL2ROCK2
SCHEMBL2494065 0.79 LOXL2 (0.58) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL25821192 0.78 CDK8 (0.45) SLC22A12IRAK4
SCHEMBL25820092 0.78 GABRA1 (0.34) HTR1AADRA1DADRA1AADRA1BTRPV1
SCHEMBL25820089 0.78 PIK3CA (0.51) CYP19A1LOXL2

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 HTR1A 3416/4885ADRA1D 3932/4885ADRA1A 3488/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA HTR1A 2664/4885ADRA1D 3449/4885ADRA1A 2976/4885

“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.