SCHEMBL3496135

SCHEMBL3496135

O=C(O)c1coc(-c2ccc(-c3nc4ccccc4n3CCC3CCCCC3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 1/20 0.47
PTGER4 P35408 1/20 0.46
BRD4 O60885 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
PIN1 Q13526 9/20 0.41
MCHR1 Q99705 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL13164978 0.89 BRD4 (0.45) OGFRL1PTGER4BRD4BAZ2ARXRA
SCHEMBL3496212 0.87 PTGER4 (0.52) PTGER4BRD4BAZ2AKDM4EHSD17B10
SCHEMBL3498756 0.80 HRH3 (0.48) BRD4BAZ2ARXRARXRBRXRG
SCHEMBL13164975 0.77 PTGER4 (0.49) PTGER4BRD4BAZ2AKDM4EHSD17B10
SCHEMBL7391328 0.72 BRD4 (0.49) PTGER4BRD4BAZ2ARXRARXRB
SCHEMBL15568410 0.69 ALDH1A1 (0.54) BRD4KDM4ENR1H4DRD2
SCHEMBL3495473 0.69 PTPN1 (0.48)
SCHEMBL1482215 0.69 RXRA (0.50) BRD4BAZ2ARXRARXRBRXRG
Trifluoroacetic Acid SCHEMBL15568266 0.68 ALDH1A1 (0.49) KDM4EPIN1NR1H4DRD2
SCHEMBL31448402 0.68 RXRA (0.52) OGFRL1BRD4BAZ2ARXRARXRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 OGFRL1 1045/4885PTGER4 677/4885BRD4 1166/4885

“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.