SCHEMBL23901529

SCHEMBL23901529

NC1CCCN(c2ccc(C(=O)N3CCOC(c4ccccc4)C3)c(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.42
MGLL Q99685 1/20 0.40
USP30 Q70CQ3 2/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SPR P35270 1/20 0.38
P2RX7 Q99572 2/20 0.37
CAMK1D Q8IU85 2/20 0.37
AVPR1A P37288 1/20 0.37
SCD5 Q86SK9 1/20 0.37
DPP4 P27487 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL23901530 0.94 AVPR2 (0.43) AVPR2MGLLUSP30SPRP2RX7
SCHEMBL23901480 0.90 AVPR2 (0.42) AVPR2MGLLUSP30SPRP2RX7
SCHEMBL23901481 0.90 AVPR2 (0.42) AVPR2MGLLUSP30SPRP2RX7
SCHEMBL25453338 0.86 AVPR2 (0.55) AVPR2MGLLUSP30HPGDSMN1; SMN2
SCHEMBL25453329 0.84 AVPR2 (0.50) AVPR2MGLLUSP30HPGDSMN1; SMN2
SCHEMBL25453375 0.84 AVPR2 (0.50) AVPR2MGLLUSP30HPGDSMN1; SMN2
SCHEMBL23901527 0.83 AVPR2 (0.40) AVPR2MGLLUSP30SPRP2RX7
SCHEMBL23901568 0.83 AVPR2 (0.40) AVPR2MGLLUSP30SPRP2RX7
SCHEMBL25453331 0.81 USP30 (0.45) AVPR2MGLLUSP30HPGDSMN1; SMN2
SCHEMBL23901483 0.80 USP30 (0.45) USP30HPGDSPRP2RX7SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE AVPR2 4576/4885MGLL 2888/4885USP30 545/4885

“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.