SCHEMBL25820134

SCHEMBL25820134

Cc1cccc2c(CC(C)C)ccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
PSMD14 O00487 1/20 0.45
COPS5 Q92905 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
ALOX12 P18054 3/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
L3MBTL1 Q9Y468 5/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL28165068 0.81 LMNA (0.66) HTR1AADRA1DADRA1AADRA1BPSMD14
SCHEMBL12728621 0.81 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BPSMD14
SCHEMBL21882104 0.79 HTR1A (0.43) HTR1AADRA1DADRA1AADRA1BPSMD14
SCHEMBL25825506 0.79 CCNC (0.39) HTR1AADRA1DADRA1AADRA1BPSMD14
Hydrochloric Acid SCHEMBL263934 0.78 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BPSMD14
SCHEMBL2494065 0.75 LOXL2 (0.58) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL25820107 0.74 ADK (0.38) HTR1AADRA1DADRA1AADRA1BPSMD14
SCHEMBL2607397 0.74 PSMD14 (0.68) HTR1AADRA1DADRA1AADRA1BPSMD14
SCHEMBL24292895 0.74 GABRA1 (0.38) MAPTKDM4ELMNAGABRA1GABRB2
SCHEMBL12131703 0.74 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BPSMD14

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.