SCHEMBL3498502

SCHEMBL3498502

CN(C)Cc1cnc(-c2ccc(Cn3cnc4ccccc43)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.56
CYP11B2 P19099 8/20 0.56
HTT P42858 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 2/20 0.54
LMNA P02545 5/20 0.53
TNF P01375 1/20 0.51
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GAA P10253 1/20 0.43
STAT3 P40763 1/20 0.43
RAB9A P51151 1/20 0.43
EDNRA P25101 1/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL3642459 0.91 CYP11B1 (0.54) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL3497341 0.90 CYP11B1 (0.55) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL3497822 0.84 CYP11B1 (0.59) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL3496573 0.81 CYP11B1 (0.55) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL3498032 0.81 CYP11B1 (0.54) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL3497053 0.81 CYP11B1 (0.54) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL3496472 0.79 CYP11B1 (0.55) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL3498739 0.78 CYP11B1 (0.48) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL3496682 0.78 CYP11B1 (0.48) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL3497660 0.78 CYP11B1 (0.48) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1

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
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
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 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.