SCHEMBL5132275

SCHEMBL5132275

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 17/20 0.58
RAB9A P51151 2/20 0.37
SMO Q99835 1/20 0.37
GALR3 O60755 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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 0.95 P2RX7 (0.60) P2RX7RAB9ASMOGALR3CYP3A4
SCHEMBL5128960 0.86 P2RX7 (0.53) P2RX7RAB9AGALR3
SCHEMBL5132277 0.85 P2RX7 (0.51) P2RX7CYP3A4
SCHEMBL5123846 0.85 P2RX7 (0.69) P2RX7RAB9AGALR3
SCHEMBL27655378 0.84 P2RX7 (0.65) P2RX7RAB9AGALR3
SCHEMBL5126494 0.84 P2RX7 (0.65) P2RX7RAB9AGALR3
SCHEMBL5132359 0.80 P2RX7 (0.54) P2RX7CYP3A4
SCHEMBL5122909 0.80 P2RX7 (0.59) P2RX7RAB9AGALR3
SCHEMBL5131428 0.79 P2RX7 (0.67) P2RX7RAB9AGALR3CYP3A4HPGD
SCHEMBL27655377 0.79 P2RX7 (0.67) P2RX7RAB9AGALR3CYP3A4HPGD

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 6 patents. 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 claimed
EP-1651610-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2006-05-03 EP claimed
WO-2005009968-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2005-02-03 WO claimed
US-20080058293-A1 Quinoline Derivates and Their Use in Therapy ASTRAZENECA AB (SE) 2008-03-06 US disclosed
EP-1651610-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2006-05-03 EP disclosed
WO-2005009968-A1 QUINOLINE DERIVATES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2005-02-03 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-20080058293-A1 Quinoline Derivates and Their Use in Therapy NQO2, RECQL, CHRM1 P2RX7 91/4885RAB9A 881/4885SMO 3166/4885

“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.