SCHEMBL6187210

SCHEMBL6187210

COc1ccccc1Cn1c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 5/20 0.48
▸ HTT P42858 2/20 0.48
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ MCHR1 Q99705 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ ADRA1D P25100 1/20 0.42

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 0.88 LMNA (0.56) MAPK1SMN1; SMN2LMNAHTTAPOBEC3A
SCHEMBL5628780 0.85 LMNA (0.53) SMN1; SMN2LMNAHTTAPOBEC3AAPOBEC3G
SCHEMBL5627256 0.85 SMN1; SMN2 (0.51) MAPK1USP2SMN1; SMN2LMNAHTT
SCHEMBL6185625 0.81 ADRA1D (0.59) SMN1; SMN2LMNAHTTMCHR1TDP1
SCHEMBL14641341 0.81 CNR2 (0.45) MAPK1USP2TP53NPSR1SMN1; SMN2
SCHEMBL5626522 0.77 ALDH1A1 (0.52) NPSR1SMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL7090869 0.76 KDM4E (0.57) TP53SMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL7084990 0.76 KDM4E (0.52) MAPK1NPSR1SMN1; SMN2LMNATDP1
SCHEMBL7084322 0.76 MCHR1 (0.49) TP53SMN1; SMN2LMNAHTTMCHR1
SCHEMBL6188597 0.75 TSHR (0.58) MAPK1TP53NPSR1SMN1; SMN2LMNA

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 5 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

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 MAPK1 3658/4885USP2 3494/4885TP53 4827/4885

“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.

Send feedback