Benzene

Benzene

SCHEMBL3357564

CC(=O)OCCC1CCNCC1.c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRB2 P47870 2/20 0.42
SLC6A12 P48065 2/20 0.42
SLC6A11 P48066 2/20 0.42
SLC6A13 Q9NSD5 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRA4 P48169 1/20 0.42
ITGB3 P05106 8/20 0.41
ITGA2B P08514 8/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
SLC18A3 Q16572 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL3624797 0.95 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL5259892 0.93 SLC6A1 (0.40) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1575095 0.84 ALDH1A1 (0.44) ITGB3ITGA2BALOX15
Benzene SCHEMBL3357152 0.82 CHRM3 (0.49) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27440920 0.82 GABRA5 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12506840 0.81
SCHEMBL27604954 0.81 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9344097 0.80 GABRA5 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL30772053 0.79 GPR119 (0.33) GABRA5GABRB2GABRA1GABRA4SLC18A3
SCHEMBL28083748 0.78 THRB (0.43) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 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 (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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 SLC6A1 998/4885GABRA5 111/4885GABRB2 229/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 SLC6A1 998/4885GABRA5 111/4885GABRB2 229/4885

“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.