SCHEMBL30276402

SCHEMBL30276402

C[C@H](Cc1ccc(-n2ccc(N)nc2=O)cc1)N1CC2C(CNC(=O)OC(C)(C)C)C2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA2B P29275 1/20 0.34
NAMPT P43490 1/20 0.34
HTR4 Q13639 6/20 0.33
ROCK2 O75116 3/20 0.33
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 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
SCHEMBL22249306 1.00 ADORA2A (0.34) ADORA2AADORA1ADORA2BNAMPTHTR4
SCHEMBL22248970 0.92 ADORA2A (0.34) ADORA2AADORA1ADORA2BNAMPTHTR4
SCHEMBL30276436 0.92 ADORA2A (0.34) ADORA2AADORA1ADORA2BNAMPTHTR4
SCHEMBL22248467 0.90 ADORA2A (0.33) ADORA2AADORA1ADORA2BNAMPTHTR4
SCHEMBL30276375 0.90 ADORA2A (0.33) ADORA2AADORA1ADORA2BNAMPTHTR4
SCHEMBL30276406 0.90 ADORA2A (0.34) ADORA2AADORA1ADORA2BNAMPTHTR4
SCHEMBL22248972 0.90 ADORA2A (0.33) ADORA2AADORA1ADORA2BNAMPTHTR4
SCHEMBL30276609 0.90 ADORA2A (0.33) ADORA2AADORA1ADORA2BNAMPTHTR4
SCHEMBL22248422 0.88 ROCK2 (0.36) HTR4ROCK2ACACBCYP3A4CYP2D6
SCHEMBL22236020 0.88 HTR4 (0.35) HTR4ROCK2CYP3A4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072397-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-09 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 (1 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-20230072397-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 ADORA2A 4726/4885ADORA1 4564/4885ADORA2B 4703/4885

“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.