SCHEMBL6192606

SCHEMBL6192606

COc1ccccc1Cn1c(C(C)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALOX5AP P20292 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ LMNA P02545 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ MCHR1 Q99705 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ ATM Q13315 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL5629445 0.86 LMNA (0.56) APOBEC3AAPOBEC3GLMNASMN1; SMN2HTT
SCHEMBL5628780 0.83 LMNA (0.53) APOBEC3AAPOBEC3GLMNASMN1; SMN2HTT
SCHEMBL6185623 0.83 HTT (0.51) NPSR1ALOX5APTP53LMNASMN1; SMN2
SCHEMBL6185625 0.79 ADRA1D (0.59) LMNASMN1; SMN2HTTMCHR1TDP1
SCHEMBL5627256 0.78 SMN1; SMN2 (0.51) APOBEC3AAPOBEC3GLMNASMN1; SMN2HTT
SCHEMBL6187210 0.75 MAPK1 (0.51) NPSR1APOBEC3AAPOBEC3GTP53LMNA
SCHEMBL7084322 0.73 MCHR1 (0.49) TP53LMNASMN1; SMN2HTTMCHR1
SCHEMBL6186883 0.72 LMNA (0.59) NPSR1TP53LMNASMN1; SMN2HTT
SCHEMBL7090869 0.72 KDM4E (0.57) TP53LMNASMN1; SMN2TDP1MEN1
SCHEMBL5630581 0.71 CYP1A2 (0.51) NPSR1LMNASMN1; SMN2TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 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

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 NPSR1 71/4885ALOX5AP 4370/4885APOBEC3A 2748/4885

“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.

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