SCHEMBL5132277

SCHEMBL5132277

C[C@H](Cc1ccccc1)C(=O)Nc1c(Cl)ccc2nc(N3CC[C@H](NCCCO)C3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.51
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
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
SCHEMBL5132359 0.95 P2RX7 (0.54) P2RX7CYP3A4TSHRMCHR1
SCHEMBL5131756 0.87 P2RX7 (0.53) P2RX7MCHR1
SCHEMBL5128962 0.86 P2RX7 (0.47) P2RX7MCHR1
SCHEMBL5123854 0.85 P2RX7 (0.68) P2RX7
SCHEMBL5126501 0.85 P2RX7 (0.56) P2RX7MCHR1
SCHEMBL5132275 0.85 P2RX7 (0.58) P2RX7CYP3A4
SCHEMBL5122915 0.81 P2RX7 (0.53) P2RX7
SCHEMBL5132358 0.80 P2RX7 (0.60) P2RX7CYP3A4
SCHEMBL5131429 0.79 P2RX7 (0.56) P2RX7CYP3A4MCHR1
SCHEMBL5123905 0.79 P2RX7 (0.45) P2RX7MCHR1

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 4 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

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 91/4885CYP3A4 119/4885TSHR 929/4885

“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.