SCHEMBL741492

SCHEMBL741492

CCc1ccc(COc2ccc(Br)cc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
SLC6A4 P31645 2/20 0.50
SMPD1 P17405 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.49
CCR5 P51681 6/20 0.49
MAOB P27338 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CA2 P00918 1/20 0.46
HPGD P15428 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
CSF1R P07333 1/20 0.46

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
SCHEMBL30682049 0.87 CCR5 (0.56) SMN1; SMN2SLC6A4SMPD1ALDH1A1MAPK1
SCHEMBL1447864 0.85 SLC6A4 (0.59) SMN1; SMN2SLC6A4SMPD1ALDH1A1CYP1A2
SCHEMBL30504080 0.85 SLC6A4 (0.59) SMN1; SMN2SLC6A4SMPD1ALDH1A1CYP1A2
SCHEMBL25180595 0.82 CCR5 (0.57) SLC6A4SMPD1CCR5MAOBNPC1
SCHEMBL13929725 0.82 ACHE (0.55) SMN1; SMN2ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL17441250 0.81 SMPD1 (0.57) SMN1; SMN2SMPD1ALDH1A1CYP1A2CYP3A4
SCHEMBL743015 0.81 APP (0.61) SMN1; SMN2ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL4572874 0.79 KDM4E (0.59) SMN1; SMN2ALDH1A1MAPTMAPK1HPGD
SCHEMBL9217221 0.79 ALDH1A1 (0.52) SMN1; SMN2SLC6A4ALDH1A1MAOB
SCHEMBL23643207 0.79 CSF1R (0.55) SMN1; SMN2ALDH1A1CYP1A2CYP3A4MAPT

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
US-8765739-B2 Azetidine compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-07-01 US disclosed
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
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
US-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2010-12-30 US disclosed
WO-2010131738-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF 日本たばこ産業株式会社 (JP) 2010-11-18 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-20100331301-A1 AZETIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP2C9, QDPR SMN1; SMN2 1874/4885SLC6A4 136/4885SMPD1 304/4885

“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.