SCHEMBL25820133

SCHEMBL25820133

Cc1ccc2c(CC(C)C)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.53
ADRA1D P25100 4/20 0.53
ADRA1A P35348 4/20 0.53
ADRA1B P35368 4/20 0.53
ALDH1A1 P00352 2/20 0.41
CHEK1 O14757 1/20 0.40
PARP1 P09874 1/20 0.40
PIM1 P11309 1/20 0.40
RPS6KA3 P51812 1/20 0.40
AAK1 Q2M2I8 2/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
NSD3 Q9BZ95 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NR4A2 P43354 1/20 0.36
UHRF1 Q96T88 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL25820095 0.88 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL26664503 0.83 GABRA1 (0.47) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL25820070 0.81 FERMT2 (0.47) AAK1NSD3PTGER1
SCHEMBL10316082 0.80 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL6596905 0.79 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL2494065 0.77 LOXL2 (0.58) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL10330490 0.75 ADRA1A (0.51) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL25819906 0.74 LATS1 (0.39) PDE3BPDE3A
SCHEMBL873159 0.74 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL25820130 0.73 KDM4E (0.43) ALDH1A1PARP1KDM4ESMN1; SMN2NR4A2

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.