SCHEMBL3497202

SCHEMBL3497202

CC1CCCN1Cc1cnc(-c2ccc(Cn3cnc4cc(/C(=C/C(=O)O)C(=O)O)ccc43)cc2)n1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.38
BRD4 O60885 3/20 0.37
FLT3 P36888 1/20 0.37
PPARG P37231 1/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
KCNH2 Q12809 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3496115 0.81 CYP11B1 (0.48) HRH3
SCHEMBL3496109 0.81 CYP11B1 (0.48) HRH3
Fumaric Acid SCHEMBL3497894 0.70 CYP11B1 (0.48) HRH3BRD4
Fumaric Acid SCHEMBL3497899 0.70 CYP11B1 (0.48) HRH3BRD4
SCHEMBL3496656 0.66 CYP11B1 (0.54) HRH3BRD4
SCHEMBL3497690 0.65 BRD4 (0.41) HRH3BRD4KCNH2
SCHEMBL3496676 0.63 CYP11B1 (0.59) BRD4
SCHEMBL2884832 0.63 HRH3 (0.59) HRH3HPGD
SCHEMBL13165078 0.62 CYP11B1 (0.60) BRD4
SCHEMBL3494308 0.62 CYP11B1 (0.60) BRD4

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 HRH3 2/4885BRD4 1166/4885FLT3 2165/4885

“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.