SCHEMBL3732608

SCHEMBL3732608

Cc1cc(-n2c(C)nc3ccccc32)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ HSD17B10 Q99714 1/20 0.58
▸ POLB P06746 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ AGTR1 P30556 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL8396869 0.87 RECQL (0.60) MAPK1HTTHSD17B10POLBRECQL
SCHEMBL3667518 0.83 HSD17B10 (0.72) MAPK1HTTHSD17B10POLBRECQL
SCHEMBL541192 0.82 MAPK1 (0.50) MAPK1HTTHSD17B10RECQLTHRB
SCHEMBL7762886 0.81 HSD17B10 (0.72) MAPK1HTTHSD17B10POLBRECQL
SCHEMBL7287510 0.77 MAPK1 (0.61) MAPK1HTTHSD17B10POLBTHRB
SCHEMBL18355573 0.77 MAPK1 (0.66) MAPK1HTTHSD17B10SMN1; SMN2NPC1
SCHEMBL3726718 0.77 HRH3 (0.53) THRBHRH3
SCHEMBL14000496 0.76 MAPK1 (0.64) MAPK1HTTHSD17B10HRH3
SCHEMBL8394776 0.76 RECQL (0.58) MAPK1HTTHSD17B10POLBRECQL
SCHEMBL10041256 0.76 MAPK1 (0.79) MAPK1HTTHSD17B10POLBTHRB

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
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 — — EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 — — WO disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 — — 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-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 MAPK1 3167/4885HTT 867/4885HSD17B10 2810/4885

“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.

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