SCHEMBL25453333

SCHEMBL25453333

CCC1CCN(c2ccc(C(=O)N3CCOC(c4ccccc4)C3)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
AVPR2 P30518 5/20 0.42
USP30 Q70CQ3 2/20 0.40
CCR5 P51681 1/20 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
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MGLL Q99685 1/20 0.38
KRAS P01116 3/20 0.38
AVPR1A P37288 1/20 0.37
CNR2 P34972 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 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
SCHEMBL25453372 1.00 P2RX7 (0.42) P2RX7AVPR2USP30CCR5CYP2C9
SCHEMBL23901568 0.91 AVPR2 (0.40) P2RX7AVPR2USP30CCR5CYP2C9
SCHEMBL23901527 0.91 AVPR2 (0.40) P2RX7AVPR2USP30CCR5CYP2C9
SCHEMBL25453336 0.90 AVPR2 (0.40) P2RX7AVPR2USP30CCR5CYP2C9
SCHEMBL25453329 0.90 AVPR2 (0.50) P2RX7AVPR2USP30NR1H2NR1H3
SCHEMBL25453375 0.90 AVPR2 (0.50) P2RX7AVPR2USP30NR1H2NR1H3
SCHEMBL23901480 0.88 AVPR2 (0.42) P2RX7AVPR2USP30CCR5NR1H2
SCHEMBL23901481 0.88 AVPR2 (0.42) P2RX7AVPR2USP30CCR5NR1H2
SCHEMBL25453338 0.88 AVPR2 (0.55) P2RX7AVPR2USP30NR1H2NR1H3
SCHEMBL25453331 0.87 USP30 (0.45) P2RX7AVPR2USP30NR1H2NR1H3

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE P2RX7 3815/4885AVPR2 4576/4885USP30 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.