SCHEMBL5131982

SCHEMBL5131982

O=C(CCc1ccccc1)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.73
KDM4E B2RXH2 3/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SLC2A1 P11166 1/20 0.43
MCHR1 Q99705 5/20 0.42
MAOB P27338 2/20 0.42
HTR6 P50406 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
HTR2C P28335 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
USP2 O75604 1/20 0.42
HTR3B O95264 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL27634382 1.00 P2RX7 (0.73) P2RX7KDM4ECYP3A4HSD17B10SLC2A1
SCHEMBL27634523 0.93 P2RX7 (0.78) P2RX7KDM4ECYP3A4HSD17B10MCHR1
SCHEMBL5131507 0.93 P2RX7 (0.78) P2RX7KDM4ECYP3A4HSD17B10MCHR1
Hydrochloric Acid SCHEMBL5131271 0.92 P2RX7 (0.77) P2RX7KDM4ECYP3A4HSD17B10MCHR1
SCHEMBL27634467 0.90 P2RX7 (0.80) P2RX7KDM4ECYP3A4HSD17B10MCHR1
SCHEMBL5125437 0.90 P2RX7 (0.80) P2RX7KDM4ECYP3A4HSD17B10MCHR1
Hydrochloric Acid SCHEMBL5131649 0.89 P2RX7 (0.78) P2RX7KDM4ECYP3A4HSD17B10MCHR1
SCHEMBL5128500 0.85 P2RX7 (0.70) P2RX7KDM4EMCHR1HTR2CALDH1A1
SCHEMBL5123982 0.85 P2RX7 (1.00) P2RX7KDM4EMCHR1MAOBHTR6
Hydrochloric Acid SCHEMBL5128207 0.84 P2RX7 (0.98) P2RX7KDM4EMCHR1MAOBHTR6

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 8 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
CN-1829694-A quinoline derivatives and their use in therapy ASTRAZENECA AB (SE) 2006-09-06 CN 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
CN-1829694-A quinoline derivatives and their use in therapy ASTRAZENECA AB (SE) 2006-09-06 CN 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 91/4885KDM4E 1175/4885CYP3A4 119/4885

“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.