SCHEMBL3496676

SCHEMBL3496676

Cn1c(CO)cnc1-c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.59
CYP11B2 P19099 8/20 0.59
HTT P42858 5/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TNF P01375 2/20 0.53
MAPK1 P28482 2/20 0.53
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EDNRA P25101 1/20 0.44
IDO1 P14902 1/20 0.43

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
SCHEMBL13165078 0.89 CYP11B1 (0.60) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3494308 0.89 CYP11B1 (0.60) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496656 0.84 CYP11B1 (0.54) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3497850 0.82 FGFR1 (0.52) HTTSMN1; SMN2NPSR1ALDH1A1KMT2A
SCHEMBL3496109 0.80 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3496115 0.80 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
Fumaric Acid SCHEMBL3497899 0.80 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
Fumaric Acid SCHEMBL3497894 0.80 CYP11B1 (0.48) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL3497995 0.79 CYP11B1 (0.53) CYP11B1CYP11B2HTTLMNASMN1; SMN2
SCHEMBL13907295 0.76 CYP11B1 (0.89) CYP11B1CYP11B2HTTLMNASMN1; SMN2

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 9 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-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
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
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
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.