SCHEMBL3056217

SCHEMBL3056217

CCN(CC)C(=O)c1ccc(-c2ccc(C3CCN(C4CCC4)CC3)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.49
OPRM1 P35372 3/20 0.49
OPRK1 P41145 1/20 0.49
HRH3 Q9Y5N1 10/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
IDO1 P14902 1/20 0.41
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3060868 0.88 KDM2B (0.43) OPRD1OPRM1OPRK1HRH3ALDH1A1
SCHEMBL3072166 0.84 HRH3 (0.44) OPRD1OPRM1OPRK1HRH3ALDH1A1
SCHEMBL3060918 0.80 L3MBTL3 (0.55) HRH3ALDH1A1HPGDSMN1; SMN2
SCHEMBL13088487 0.79 HRH3 (0.44) HRH3IDO1
SCHEMBL3073537 0.79 L3MBTL3 (0.53) HRH3HPGD
SCHEMBL3068872 0.78 KDM2B (0.42) HRH3IDO1
SCHEMBL3061192 0.77 HRH3 (0.42) HRH3IDO1
SCHEMBL5425549 0.75 GRM5 (0.45) OPRD1OPRM1OPRK1ALDH1A1MAPT
SCHEMBL3060987 0.75 KDM2B (0.43) HRH3
SCHEMBL3063422 0.73 HRH3 (0.48) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US claimed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US claimed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 EP disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 WO 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-20100267721-A1 Heterocyclic H3 Antagonists HRH3, HRH4, HRH2 OPRD1 38/4885OPRM1 84/4885OPRK1 70/4885

“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.