SCHEMBL3496573

SCHEMBL3496573

c1ccc2c(c1)ncn2Cc1ccc(-c2ncc(CN3CCCC3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.55
CYP11B2 P19099 7/20 0.55
HTT P42858 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TNF P01375 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 4/20 0.49
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
STAT3 P40763 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL3497053 0.99 CYP11B1 (0.54) CYP11B1CYP11B2HTTSMN1; SMN2TNF
SCHEMBL3498032 0.99 CYP11B1 (0.54) CYP11B1CYP11B2HTTSMN1; SMN2TNF
SCHEMBL3496991 0.88 CYP11B1 (0.47) CYP11B1CYP11B2HTTSMN1; SMN2TNF
Hydrochloric Acid SCHEMBL3497822 0.83 CYP11B1 (0.59) CYP11B1CYP11B2HTTSMN1; SMN2TNF
SCHEMBL3497660 0.83 CYP11B1 (0.48) CYP11B1CYP11B2HTTSMN1; SMN2TNF
SCHEMBL3498739 0.83 CYP11B1 (0.48) CYP11B1CYP11B2HTTSMN1; SMN2TNF
SCHEMBL3496682 0.83 CYP11B1 (0.48) CYP11B1CYP11B2HTTSMN1; SMN2TNF
SCHEMBL3498502 0.81 CYP11B1 (0.56) CYP11B1CYP11B2HTTSMN1; SMN2TNF
SCHEMBL3497341 0.80 CYP11B1 (0.55) CYP11B1CYP11B2HTTSMN1; SMN2TNF
SCHEMBL3497040 0.80 CYP11B1 (0.52) CYP11B1CYP11B2HTTSMN1; SMN2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 CYP11B1 2926/4885CYP11B2 2281/4885HTT 775/4885

“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.