SCHEMBL23901480

SCHEMBL23901480

NC1CCN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.42
USP30 Q70CQ3 2/20 0.41
MGLL Q99685 1/20 0.39
P2RX7 Q99572 2/20 0.39
NOTUM Q6P988 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
SPR P35270 1/20 0.37
KRAS P01116 3/20 0.37
RAB9A P51151 1/20 0.37
CCR5 P51681 1/20 0.37
SCD5 Q86SK9 1/20 0.37
DCTPP1 Q9H773 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
SCHEMBL23901481 1.00 AVPR2 (0.42) AVPR2USP30MGLLP2RX7NOTUM
SCHEMBL23901530 0.95 AVPR2 (0.43) AVPR2USP30MGLLP2RX7NOTUM
SCHEMBL25453375 0.90 AVPR2 (0.50) AVPR2USP30MGLLP2RX7NOTUM
SCHEMBL25453329 0.90 AVPR2 (0.50) AVPR2USP30MGLLP2RX7NOTUM
SCHEMBL23901568 0.90 AVPR2 (0.40) AVPR2USP30MGLLP2RX7NOTUM
SCHEMBL23901527 0.90 AVPR2 (0.40) AVPR2USP30MGLLP2RX7NOTUM
SCHEMBL23901529 0.90 AVPR2 (0.42) AVPR2USP30MGLLP2RX7SPR
SCHEMBL25453338 0.88 AVPR2 (0.55) AVPR2USP30MGLLP2RX7NOTUM
SCHEMBL25453331 0.88 USP30 (0.45) AVPR2USP30MGLLP2RX7NOTUM
SCHEMBL25453333 0.88 P2RX7 (0.42) AVPR2USP30MGLLP2RX7NR1H2

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-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 4576/4885USP30 545/4885MGLL 2888/4885

“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.