Benzene

Benzene

SCHEMBL3552917

C#Cc1ccnnc1C1CC2CCCC(C1)N2C.c1ccccc1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 4/20 0.33
CHRNB2 P17787 4/20 0.33
CHRM4 P08173 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRM5 P08912 2/20 0.33
HRH1 P35367 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR3E A5X5Y0 2/20 0.33
HTR3B O95264 2/20 0.33
HTR3A P46098 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRM3 P20309 6/20 0.32
CHRM2 P08172 4/20 0.32
CHRM1 P11229 4/20 0.32

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
Benzene SCHEMBL1449616 0.74
Benzene SCHEMBL1022490 0.71 HRH4 (0.33) CHRNA3CHRNB2CHRNA4CHRNA7SLC6A2
Benzene SCHEMBL3550063 0.68 LMNA (0.30)
Benzene SCHEMBL2929682 0.64 CHRNA7 (0.44) CHRNA7KCNH2
SCHEMBL7210361 0.62 CYP11B2 (0.56) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL7720464 0.62 CYP11B2 (0.56) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL3552911 0.61 GRM5 (0.50)
Benzene SCHEMBL3243648 0.60 CHRNA7 (0.40) CHRNA3CHRM4CHRNB4CHRNA7CHRM5
Benzene SCHEMBL2930414 0.60 CHRNB2 (0.46) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL1025118 0.59 CHRNB2 (0.35) CHRNA3CHRNB2CHRM4CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662812-B2 Diazabicyclic aryl derivatives and their use as chinolinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2010-02-16 US claimed
US-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances NEUROSEARCH A/S (DK) 2008-06-19 US claimed
EP-1863819-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHINOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2007-12-12 EP claimed
WO-2006087306-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2006-08-24 WO claimed
US-7662812-B2 Diazabicyclic aryl derivatives and their use as chinolinergic ligands at nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2010-02-16 US disclosed
US-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances NEUROSEARCH A/S (DK) 2008-06-19 US disclosed
EP-1863819-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHINOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2007-12-12 EP disclosed
WO-2006087306-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2006-08-24 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-20080146582-A1 disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances CHRNA6, CHRNA10, CHRNA2 CHRNA3 5/4885CHRNB2 6/4885CHRM4 33/4885

“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.