SCHEMBL5122822

SCHEMBL5122822

CCOC(=O)C1CCN(c2ccc3c(C(=O)NCCc4ccccc4Cl)c(Cl)ccc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
P2RX7 Q99572 14/20 0.48
SHMT2 P34897 1/20 0.47
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL5132044 0.95 MAPT (0.48) MAPTP2RX7SHMT2MEN1ALDH1A1
SCHEMBL5122916 0.94 P2RX7 (0.47) MAPTP2RX7SHMT2KDM4EMEN1
SCHEMBL5121876 0.93 MAPT (0.51) MAPTP2RX7SHMT2MEN1ALDH1A1
SCHEMBL5128913 0.91 P2RX7 (0.49) MAPTP2RX7SHMT2KDM4EMEN1
SCHEMBL5131712 0.89 P2RX7 (0.53) P2RX7RXFP1
SCHEMBL5125855 0.89 P2RX7 (0.48) MAPTP2RX7SHMT2MEN1ALDH1A1
SCHEMBL5122223 0.86 P2RX7 (0.49) MAPTP2RX7SHMT2MEN1KMT2A
SCHEMBL5128840 0.86 P2RX7 (0.51) MAPTP2RX7TP53RXFP1
SCHEMBL3837434 0.85 P2RX7 (0.52) MAPTP2RX7SHMT2
SCHEMBL5130008 0.85 P2RX7 (0.49) MAPTP2RX7SHMT2ALDH1A1

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 3 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 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 MAPT 1761/4885P2RX7 91/4885SHMT2 1950/4885

“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.