SCHEMBL3498748

SCHEMBL3498748

Cn1c(N2CCCC2)cnc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LRRK2 Q5S007 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSK3B P49841 1/20 0.33
TSHR P16473 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
IP6K1 Q92551 1/20 0.30

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
SCHEMBL5378564 0.78 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALRRK2TDP1
SCHEMBL5387392 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALRRK2TDP1
SCHEMBL5378550 0.69 HPGDS (0.47) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL5375032 0.68 HPGDS (0.46) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL8079145 0.68 HRH3 (0.36) TDP1L3MBTL1CHRNB2CHRNA4SMN1; SMN2
SCHEMBL15707248 0.66
SCHEMBL3495461 0.66 GAA (0.44) ALDH1A1MEN1KMT2ATDP1TSHR
SCHEMBL3325158 0.64
SCHEMBL16141553 0.64 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1GSK3B
SCHEMBL17473436 0.63 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1GSK3B

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 4 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
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 ALDH1A1 1047/4885MEN1 1771/4885KMT2A 1090/4885

“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.