SCHEMBL5128960

SCHEMBL5128960

C[C@H](CC(=O)Nc1c(Cl)ccc2nc(N3CC[C@H](NCCO[Si](C)(C)C(C)(C)C)C3)ccc12)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.53
GALR3 O60755 1/20 0.37
RAB9A P51151 1/20 0.37
GLS O94925 2/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL5132358 0.87 P2RX7 (0.60) P2RX7GALR3RAB9A
SCHEMBL5128962 0.87 P2RX7 (0.47) P2RX7GLSMCHR1
SCHEMBL5132275 0.86 P2RX7 (0.58) P2RX7GALR3RAB9A
SCHEMBL5123901 0.86 P2RX7 (0.47) P2RX7MCHR1
SCHEMBL5123905 0.85 P2RX7 (0.45) P2RX7GLSMCHR1
SCHEMBL3836987 0.85 P2RX7 (0.45) P2RX7MCHR1
SCHEMBL3836554 0.81 P2RX7 (0.47) P2RX7
SCHEMBL5123846 0.81 P2RX7 (0.69) P2RX7GALR3RAB9A
SCHEMBL5126494 0.80 P2RX7 (0.65) P2RX7GALR3RAB9AMCHR1
SCHEMBL27655378 0.80 P2RX7 (0.65) P2RX7GALR3RAB9AMCHR1

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-20080058293-A1 Quinoline Derivates and Their Use in Therapy ASTRAZENECA AB (SE) 2008-03-06 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-20080058293-A1 Quinoline Derivates and Their Use in Therapy NQO2, RECQL, CHRM1 P2RX7 91/4885GALR3 286/4885RAB9A 881/4885

“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.