SCHEMBL13085754

SCHEMBL13085754

O=C(c1cccc(Cn2cnc3ccccc32)c1)N1CCC(O)C1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.76
HPGD P15428 1/20 0.51
CYP11B2 P19099 4/20 0.49
CYP11B1 P15538 3/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
IDO1 P14902 5/20 0.48
TNF P01375 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LOXL2 Q9Y4K0 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
SCHEMBL13085756 0.89 HRH3 (0.74) HRH3HPGDCYP11B2CYP11B1TNF
SCHEMBL13085918 0.89 HRH3 (0.74) HRH3HPGDCYP11B2CYP11B1TNF
SCHEMBL2886483 0.86 HRH3 (0.81) HRH3CYP11B2CYP11B1ALDH1A1IDO1
SCHEMBL13085882 0.80 HRH3 (0.74) HRH3HPGDCYP11B2CYP11B1TNF
SCHEMBL2885662 0.78 CYP11B1 (0.67) HRH3CYP11B2CYP11B1ALDH1A1IDO1
SCHEMBL2884355 0.77 HRH3 (0.73) HRH3CYP11B2CYP11B1TNFHDAC1
SCHEMBL13085854 0.77 HRH3 (0.59) HRH3HPGDCYP11B2CYP11B1RAB9A
SCHEMBL13920477 0.75 LOXL2 (0.62) NPC1RAB9ALOXL2
SCHEMBL13920478 0.75 LOXL2 (0.62) NPC1RAB9ALOXL2
SCHEMBL2883495 0.75 HRH3 (1.00) HRH3HDAC1HDAC6

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-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 HRH3 3/4885HPGD 508/4885CYP11B2 2197/4885

“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.