SCHEMBL738090

SCHEMBL738090

O=c1[nH]c2ccc(Cl)cc2n1CCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
HTR1A P08908 2/20 0.49
DAO P14920 1/20 0.48
TMEM97 Q5BJF2 2/20 0.47
HTR3A P46098 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
SLC22A2 O15244 1/20 0.47
NR1I2 O75469 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
Hydrochloric Acid SCHEMBL9725415 0.99 HTR7 (0.49) HTR7NOS3NOS1NOS2HTR1A
SCHEMBL9725487 0.89 TMEM97 (0.55) HTR7HTR1ADAOTMEM97MAPK1
Hydrochloric Acid SCHEMBL9725400 0.88 LMNA (0.55) HTR7HTR1ADAOTMEM97MAPK1
SCHEMBL9725368 0.88 TMEM97 (0.57) HTR7NOS3NOS1NOS2HTR1A
Hydrochloric Acid SCHEMBL9725484 0.87 LMNA (0.57) HTR7NOS3NOS1NOS2HTR1A
SCHEMBL738116 0.84 CHRM2 (0.51) HTR7DAOMAPTHTTLMNA
SCHEMBL739228 0.81 HTR7 (0.73) HTR7HTR1AMAPK1MAPTHTT
Hydrochloric Acid SCHEMBL9725420 0.80 HTR7 (0.71) HTR7HTR1AMAPK1MAPTHTT
SCHEMBL8885250 0.79 KDM4E (0.53) HTR7MAPK1TP53HTTMEN1
SCHEMBL11199049 0.79 P2RX7 (0.76) HTR7HTR1AMAPK1MEN1SLC22A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US disclosed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
EP-2114897-A2 BENZIMIDAZOLONE DERIVATIVES Pfizer Products Inc. (US) 2009-11-11 EP disclosed
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS ANDO KAZUO 2009-07-16 US disclosed
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
EP-1861377-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS Pfizer, Inc. (US) 2007-12-05 EP disclosed
WO-2006097808-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER JAPAN INC. (JP) 2006-09-21 WO disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP 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 (2 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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 HTR7 209/4885NOS3 1619/4885NOS1 1763/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 HTR7 335/4885NOS3 1881/4885NOS1 2549/4885

“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.