SCHEMBL4979498

SCHEMBL4979498

COc1ccc(CNC(=O)NC2CCN(C)CC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
EPHX1 P07099 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MCHR1 Q99705 5/20 0.52
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
MAPK1 P28482 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL4015274 0.88 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AEPHX1SMN1; SMN2
SCHEMBL14263098 0.88 MEN1 (0.77) ALDH1A1MEN1KMT2AEPHX1SMN1; SMN2
SCHEMBL4980231 0.84 RAB9A (0.74) ALDH1A1EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL4977767 0.82 MCHR1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4983996 0.81 RAB9A (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4982014 0.81 SIGMAR1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4981899 0.81 MCHR1 (0.51) ALDH1A1MEN1KMT2AEPHX1SMN1; SMN2
SCHEMBL4975820 0.81 EPHX1 (0.52) MEN1KMT2AEPHX1SMN1; SMN2NPSR1
SCHEMBL4978994 0.80 SMN1; SMN2 (0.72) MEN1KMT2AEPHX1SMN1; SMN2NPSR1
SCHEMBL4980687 0.80 HPGD (0.52) ALDH1A1MEN1KMT2AEPHX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 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-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 ALDH1A1 451/4885MEN1 3498/4885KMT2A 395/4885

“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.