SCHEMBL6185506

SCHEMBL6185506

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.65
▸ HIF1A Q16665 2/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ TSHR P16473 2/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ NR1I2 O75469 1/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ ESR1 P03372 1/20 0.65
▸ PGR P06401 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ ADRA2B P18089 1/20 0.65
▸ HTR2A P28223 1/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ HRH1 P35367 1/20 0.65
▸ HTR2B P41595 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65

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
SCHEMBL6186422 0.92 MEN1 (0.64) LMNAHIF1ATDP1TSHRCYP1A2
SCHEMBL6188597 0.88 TSHR (0.58) LMNAHIF1ATDP1TSHRCYP1A2
SCHEMBL6186883 0.87 LMNA (0.59) LMNATSHRMEN1KMT2ANPSR1
SCHEMBL5629445 0.84 LMNA (0.56) LMNATDP1TSHRCYP1A2CYP2D6
SCHEMBL14602994 0.84 LMNA (0.64) LMNATSHRCYP1A2CYP2D6CYP2C9
SCHEMBL14602995 0.84 LMNA (0.67) LMNATSHRCYP1A2CYP2D6CYP2C9
SCHEMBL6187676 0.83 LMNA (0.63) LMNATSHRCYP1A2CYP2D6CYP2C9
SCHEMBL14602999 0.83 LMNA (0.63) LMNATDP1TSHRCYP1A2CYP2D6
SCHEMBL6186764 0.83 TP53 (0.64) LMNATSHRMEN1KMT2AMAPT
SCHEMBL5628780 0.82 LMNA (0.53) LMNAHIF1ATDP1TSHRCYP1A2

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 LMNA 4026/4885HIF1A 1921/4885TDP1 3650/4885

“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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