SCHEMBL4834388

SCHEMBL4834388

CCOC(=O)c1ccc(N2CCC(N(C)C)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.53
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FDFT1 P37268 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL27794234 0.83 HPGD (0.52) HPGDHTTALDH1A1HSP90AA1CACNA1B
SCHEMBL382520 0.83 TDP1 (0.54) HPGDHTTALDH1A1HSP90AA1CACNA1B
SCHEMBL14637591 0.83 TDP1 (0.54) HPGDHTTALDH1A1HSP90AA1CACNA1B
SCHEMBL7658812 0.83 TDP1 (0.54) HPGDHTTALDH1A1HSP90AA1CACNA1B
SCHEMBL14155895 0.82 MCHR1 (0.53) MCHR1
SCHEMBL383362 0.82 PRKD3 (0.56) HPGDHTTALDH1A1HSP90AA1CACNA1B
SCHEMBL382516 0.82 PRKD3 (0.56) HPGDHTTALDH1A1HSP90AA1CACNA1B
SCHEMBL1665871 0.81 MCHR1 (0.62) MCHR1
SCHEMBL4578849 0.81 MCHR1 (0.62) MCHR1
SCHEMBL23839396 0.81 HTT (0.50) HPGDHTTALDH1A1HSP90AA1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299104-B2 Melanin hormone antagonist; therapy for obesity, type-2 diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-30 US disclosed
US-20080207707-A1 ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-08-28 US disclosed
US-7319108-B2 Aryl-substituted heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-15 US disclosed
US-20050176710-A1 Aryl-substituted heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-11 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 (2 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-20080207707-A1 ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS CYP11B1, CYP11B2, GPR119 MCHR1 1625/4885HPGD 76/4885HTT 718/4885
US-20050176710-A1 Aryl-substituted heterocycles, process for their preparation and their use as medicaments CYP11B1, CYP11B2, GPR119 MCHR1 1625/4885HPGD 76/4885HTT 718/4885

“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.