SCHEMBL25820107

SCHEMBL25820107

Cc1cc(N(C)C)cc2c(CC(C)C)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.38
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
PSMD14 O00487 1/20 0.30
COPS5 Q92905 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL25820108 0.77 IP6K1 (0.43) ADKELANE
SCHEMBL25820134 0.74 HTR1A (0.53) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL25825506 0.73 CCNC (0.39) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL25820133 0.66 HTR1A (0.53) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL23976247 0.65 SIRT2 (0.43) ADKADRA1DADRA1AADRA1B
SCHEMBL25820095 0.65 HTR1A (0.51) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL25820101 0.64 PDE3B (0.44) ADKELANE
SCHEMBL2494065 0.63 LOXL2 (0.58) HTR1AADRA1DADRA1AADRA1BELANE
SCHEMBL26664503 0.63 GABRA1 (0.47) HTR1AADRA1DADRA1AADRA1B
SCHEMBL18924519 0.63 CYP1A2 (0.35)

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 ADK 1235/4885CCR1 4312/4885CCR5 4140/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ADK 1021/4885CCR1 3960/4885CCR5 4091/4885

“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.