SCHEMBL23901568

SCHEMBL23901568

NCC1CCN(c2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)c(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.40
USP30 Q70CQ3 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK14 Q16539 1/20 0.39
P2RX7 Q99572 2/20 0.38
MGLL Q99685 1/20 0.38
KRAS P01116 3/20 0.38
TOP1 P11387 1/20 0.37
CCR5 P51681 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
SPR P35270 2/20 0.36
NOTUM Q6P988 1/20 0.36
NAPEPLD Q6IQ20 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
SCHEMBL23901527 1.00 AVPR2 (0.40) AVPR2USP30CYP2C9CYP2C19HTR2B
SCHEMBL25453333 0.91 P2RX7 (0.42) AVPR2USP30CYP2C9CYP2C19HTR2B
SCHEMBL25453372 0.91 P2RX7 (0.42) AVPR2USP30CYP2C9CYP2C19HTR2B
SCHEMBL23901480 0.90 AVPR2 (0.42) AVPR2USP30P2RX7MGLLKRAS
SCHEMBL23901481 0.90 AVPR2 (0.42) AVPR2USP30P2RX7MGLLKRAS
SCHEMBL25453336 0.88 AVPR2 (0.40) AVPR2USP30CYP2C9CYP2C19HTR2B
SCHEMBL25453329 0.88 AVPR2 (0.50) AVPR2USP30P2RX7MGLLNR1H2
SCHEMBL25453375 0.88 AVPR2 (0.50) AVPR2USP30P2RX7MGLLNR1H2
SCHEMBL23901530 0.87 AVPR2 (0.43) AVPR2USP30P2RX7MGLLKRAS
SCHEMBL25453338 0.86 AVPR2 (0.55) AVPR2USP30P2RX7MGLLKRAS

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 545/4885CYP2C9 4789/4885

“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.