SCHEMBL741874

SCHEMBL741874

CC(C)(C)[Si](C)(C)OCC(CCCc1ccncc1)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MMP2 P08253 4/20 0.32
MMP3 P08254 2/20 0.32
RAB9A P51151 1/20 0.32
NAAA Q02083 1/20 0.32
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
FAAH O00519 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL741304 0.82 MMP1 (0.31) MMP2MMP3
SCHEMBL741483 0.79
SCHEMBL741875 0.78
SCHEMBL4957807 0.77 HRH1 (0.47) HRH1LOXL2HRH4HRH3RAB9A
SCHEMBL2027168 0.76 LOXL2 (0.41) HRH1LOXL2HRH3RAB9AALDH1A1
SCHEMBL581041 0.72 LOXL2 (0.37) LOXL2RAB9AALDH1A1
SCHEMBL13018522 0.72 HRH1 (0.47) HRH1LOXL2HRH4HRH3RAB9A
SCHEMBL14453298 0.71 SIGMAR1 (0.34)
SCHEMBL1516258 0.69 DPP4 (0.37)
SCHEMBL11972243 0.69 ADRB2 (0.38) ALDH1A1MAPT

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-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 US disclosed
EP-2431365-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-03-21 EP disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 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-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP2C9, QDPR HRH1 394/4885LOXL2 2787/4885HRH4 1749/4885

“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.