SCHEMBL2886050

SCHEMBL2886050

OCc1ccc(CCN2CCCCC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
CYP2D6 P10635 1/20 0.73
HRH3 Q9Y5N1 11/20 0.70
CYP3A4 P08684 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MBTD1 Q05BQ5 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
EPHX2 P34913 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL13569223 0.98 HRH3 (0.72) CYP1A2CYP2D6HRH3CYP3A4L3MBTL1
SCHEMBL12668355 0.86 CYP1A2 (0.75) CYP1A2CYP2D6HRH3CYP3A4L3MBTL1
SCHEMBL6921327 0.83 HRH3 (0.72) CYP1A2CYP2D6HRH3CYP3A4L3MBTL1
SCHEMBL13990825 0.83 HRH3 (1.00) CYP1A2CYP2D6HRH3CYP3A4L3MBTL1
SCHEMBL7408809 0.83 HRH3 (0.59) CYP1A2CYP2D6HRH3CYP3A4L3MBTL1
SCHEMBL17538302 0.82 HRH3 (0.50) CYP1A2CYP2D6HRH3L3MBTL1MBTD1
SCHEMBL29036781 0.81 CYP1A2 (0.63) CYP1A2CYP2D6HRH3CYP3A4L3MBTL1
SCHEMBL15198045 0.78 CYP1A2 (0.68) CYP1A2CYP2D6HRH3CYP3A4L3MBTL1
Hydrochloric Acid SCHEMBL16237943 0.76 HRH3 (0.69) CYP1A2HRH3CYP3A4L3MBTL1MBTD1
SCHEMBL12937131 0.76 EPHX2 (0.59) CYP1A2CYP2D6HRH3SIGMAR1EPHX2

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-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 CYP1A2 844/4885CYP2D6 508/4885HRH3 1/4885

“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.