Benzene

Benzene

SCHEMBL1473695

CC(C)(C)OC(=O)N1CCC(=CI)CC1.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.52
GRM5 P41594 1/20 0.51
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR2 Q92731 1/20 0.46
ADORA1 P30542 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
NR1H2 P55055 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL513246 0.83 USP2 (0.50) GPR119GRM5USP2SMN1; SMN2ESR2
SCHEMBL2948300 0.82 USP2 (0.49) GPR119GRM5USP2SMN1; SMN2ESR2
SCHEMBL1473227 0.82 GPR119 (0.51) GPR119GRM5ESR2NR1H2KDM4E
SCHEMBL24673913 0.81 USP2 (0.51) GPR119GRM5USP2SMN1; SMN2ESR2
SCHEMBL10253506 0.81 USP2 (0.51) GPR119GRM5USP2SMN1; SMN2ESR2
SCHEMBL18280165 0.81 USP30 (0.47) GPR119GRM5PTPN2PTPN1PTPN6
SCHEMBL30897992 0.80 USP2 (0.50) GPR119GRM5USP2SMN1; SMN2ESR2
SCHEMBL1689676 0.79 USP2 (0.49) GPR119GRM5USP2SMN1; SMN2ESR2
SCHEMBL3719620 0.79 USP2 (0.49) GPR119GRM5USP2SMN1; SMN2ESR2
SCHEMBL843458 0.79 USP2 (0.49) GPR119GRM5USP2SMN1; SMN2ESR2

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-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT GPR119 1747/4885GRM5 2125/4885USP2 2770/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT GPR119 1868/4885GRM5 2233/4885USP2 2180/4885

“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.