SCHEMBL5626446

SCHEMBL5626446

c1ccc(CN2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.74
HTT P42858 1/20 0.73
GRIN1 Q05586 1/20 0.71
GRIN2B Q13224 1/20 0.71
HPGD P15428 1/20 0.69
DRD2 P14416 2/20 0.69
GRM2 Q14416 1/20 0.64
NPC1 O15118 1/20 0.64
GAA P10253 1/20 0.64
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
ALOX15 P16050 1/20 0.62
OPRK1 P41145 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
HTR1A P08908 1/20 0.60
ADRA2C P18825 1/20 0.60
HTR2A P28223 1/20 0.60

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
SCHEMBL9202923 0.96 HTT (0.76) DRD4HTTGRIN1GRIN2BHPGD
SCHEMBL5157052 0.92 HTT (0.84) DRD4HTTGRIN1GRIN2BHPGD
SCHEMBL8688980 0.89 DRD4 (0.67) DRD4HTTGRIN1GRIN2BHPGD
SCHEMBL12045417 0.86 HTT (0.97) DRD4HTTGRIN1GRIN2BHPGD
SCHEMBL29368802 0.86 HTT (0.97) DRD4HTTGRIN1GRIN2BHPGD
SCHEMBL4809921 0.85 DRD4 (1.00) DRD4HTTHPGDDRD2GRM2
SCHEMBL5412340 0.85 HTT (0.73) DRD4HTTHPGDDRD2NPC1
SCHEMBL5412335 0.85 HTT (0.73) DRD4HTTGRIN1GRIN2BHPGD
SCHEMBL18306556 0.85 HTT (0.73) DRD4HTTGRIN1GRIN2BHPGD
SCHEMBL7972912 0.85 GRIN2B (0.83) DRD4HTTGRIN1GRIN2BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792768-A Antipsychotic benzimidazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-08-11 US claimed
EP-0691960-B1 ANTIPSYCHOTIC BENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1997-12-03 EP claimed
EP-0691960-A1 ANTIPSYCHOTIC BENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-01-17 EP claimed
WO-1994022839-A1 ANTIPSYCHOTIC BENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-10-13 WO claimed
US-7160879-B2 Melanin concentrating hormone receptor ligands: substituted 2-(4-benzyl-piperazin-1-ylmethyl)- and 2-(4-benzyl-diazepan-1-ylmethyl)-1H-benzoimidazole analogues NEUROGEN CORPORATION (US) 2007-01-09 US disclosed
US-7160879-B2 Melanin concentrating hormone receptor ligands: substituted 2-(4-benzyl-piperazin-1-ylmethyl)- and 2-(4-benzyl-diazepan-1-ylmethyl)-1H-benzoimidazole analogues NEUROGEN CORPORATION (US) 2007-01-09 US disclosed
EP-1465635-A4 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 2-(4-BENZYL-PIPERAZIN-1-YLMETHYL)- AND 2-(4-BENZYL-DIAZEPAN-1-YLMETHYL)-1H-BENZOIMIDAZOLE ANALOGUES NEUROGEN CORP (US) 2005-04-13 EP disclosed
EP-1465635-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 2-(4-BENZYL-PIPERAZIN-1-YLMETHYL)- AND 2-(4-BENZYL-DIAZEPAN-1-YLMETHYL)-1H-BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2004-10-13 EP disclosed
WO-2003060475-A3 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 2-(4-BENZYL-PIPERAZIN-1-YLMETHYL)- AND 2-(4-BENZYL-DIAZEPAN-1-YLMETHYL)-1H-BENZOIMIDAZOLE ANALOGUES NEUROGEN CORP (US) 2003-12-31 WO disclosed
US-20030229074-A1 Melanin concentrating hormone receptor ligands: substituted 2-(4-benzyl-piperazin-1-ylmethyl)- and 2-(4-benzyl-diazepan-1-ylmethyl)-1H-benzoimidazole analogues NEUROGEN CORPORATION 2003-12-11 US disclosed
US-20030229074-A1 Melanin concentrating hormone receptor ligands: substituted 2-(4-benzyl-piperazin-1-ylmethyl)- and 2-(4-benzyl-diazepan-1-ylmethyl)-1H-benzoimidazole analogues NEUROGEN CORPORATION 2003-12-11 US disclosed
WO-2003060475-A2 MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS: SUBSTITUTED 2-(4-BENZYL-PIPERAZIN-1-YLMETHYL)- AND 2-(4-BENZYL-DIAZEPAN-1-YLMETHYL)-1H-BENZOIMIDAZOLE ANALOGUES NEUROGEN CORPORATION (US) 2003-07-24 WO disclosed
US-5792768-A Antipsychotic benzimidazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-08-11 US disclosed
EP-0691960-B1 ANTIPSYCHOTIC BENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1997-12-03 EP disclosed
EP-0691960-A1 ANTIPSYCHOTIC BENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-01-17 EP disclosed
WO-1994022839-A1 ANTIPSYCHOTIC BENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-10-13 WO disclosed
EP-0123962-B1 BENZIMIDAZOLE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION KANEBO, LTD. (JP) 1989-12-27 EP disclosed
US-4603130-A ANTIHISTAMINES KANEBO, LTD. (JP) 1986-07-29 US disclosed
EP-0123962-A2 Benzimidazole derivative, process for the preparation thereof and pharmaceutical composition KANEBO, LTD. (JP) 1984-11-07 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 (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-20030229074-A1 Melanin concentrating hormone receptor ligands: substituted 2-(4-benzyl-piperazin-1-ylmethyl)- and 2-(4-benzyl-diazepan-1-ylmethyl)-1H-benzoimidazole analogues MCHR1, MCHR2, MC1R DRD4 447/4885HTT 786/4885GRIN1 819/4885

“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.