Benzene

Benzene

SCHEMBL6503241

CCOC1(CN2CCC(c3ccccc3)CC2)CCc2ccccc2C1=O.c1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.43
SIGMAR1 Q99720 9/20 0.41
HTR2A P28223 6/20 0.41
HTR2C P28335 6/20 0.41
HTR2B P41595 6/20 0.41
HTR7 P34969 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SLC18A3 Q16572 3/20 0.40
HTR1A P08908 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL6493159 0.71 SIGMAR1 (0.47) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8616884 0.70 DRD2 (0.42) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6499248 0.70 DGAT1 (0.48) DRD2SIGMAR1HTR7CHRM2CHRM4
SCHEMBL6503951 0.70 DRD2 (0.40) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8000235 0.69 SIGMAR1 (0.49) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6491393 0.69 HTR7 (0.71) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8191001 0.68 ADRA1D (0.51) DRD2SIGMAR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6491157 0.68 HTR7 (0.69) DRD2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6489774 0.67 HTR7 (0.43) DRD2SIGMAR1HTR7SLC18A3ADRA1B
SCHEMBL6492064 0.67 SIGMAR1 (0.70) DRD2SIGMAR1HTR2AHTR2CHTR2B

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-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US disclosed
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 DRD2 1194/4885SIGMAR1 50/4885HTR2A 1914/4885

“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.