SCHEMBL6186422

SCHEMBL6186422

COc1ccccc1Cn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ LMNA P02545 4/20 0.63
▸ HTT P42858 3/20 0.63
▸ TSHR P16473 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ NPSR1 Q6W5P4 3/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ ESR1 P03372 1/20 0.53

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
SCHEMBL6185506 0.92 LMNA (0.65) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL6186883 0.89 LMNA (0.59) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL6188597 0.86 TSHR (0.58) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL14602998 0.85 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5629445 0.84 LMNA (0.56) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL14602994 0.84 LMNA (0.64) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL14602995 0.84 LMNA (0.67) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL6187676 0.83 LMNA (0.63) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL14602999 0.83 LMNA (0.63) MEN1KMT2ASMN1; SMN2GAALMNA
SCHEMBL6186764 0.83 TP53 (0.64) MEN1KMT2ASMN1; SMN2GAALMNA

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 MEN1 1036/4885KMT2A 920/4885SMN1; SMN2 1560/4885

“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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