SCHEMBL5131507

SCHEMBL5131507

O=C(CCc1ccc(Cl)cc1)Nc1c(Cl)ccc2nc(N3CCNCC3)ccc12

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.78
MCHR1 Q99705 8/20 0.45
HTR2C P28335 1/20 0.45
MCHR2 Q969V1 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
AOC3 Q16853 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL27634523 1.00 P2RX7 (0.78) P2RX7MCHR1HTR2CMCHR2HTR3E
Hydrochloric Acid SCHEMBL5131271 0.99 P2RX7 (0.77) P2RX7MCHR1HTR2CMCHR2HTR3E
SCHEMBL5131982 0.93 P2RX7 (0.73) P2RX7MCHR1HTR2CMCHR2HTR3E
SCHEMBL27634382 0.93 P2RX7 (0.73) P2RX7MCHR1HTR2CMCHR2HTR3E
SCHEMBL5123982 0.88 P2RX7 (1.00) P2RX7MCHR1HTR2CMCHR2HTR3E
Hydrochloric Acid SCHEMBL5128207 0.87 P2RX7 (0.98) P2RX7MCHR1HTR2CMCHR2HTR3E
SCHEMBL5125437 0.85 P2RX7 (0.80) P2RX7MCHR1HTR2CMCHR2HTR3E
SCHEMBL27634467 0.85 P2RX7 (0.80) P2RX7MCHR1HTR2CMCHR2HTR3E
Hydrochloric Acid SCHEMBL5131649 0.85 P2RX7 (0.78) P2RX7MCHR1HTR2CMCHR2HTR3E
SCHEMBL5128500 0.81 P2RX7 (0.70) P2RX7MCHR1HTR2CMCHR2KDM4E

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 91/4885MCHR1 1327/4885HTR2C 372/4885

“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.