SCHEMBL1875796

SCHEMBL1875796

Cc1ccc(S(=O)(=O)OC2CC(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.54
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.46
POLB P06746 1/20 0.43
KCNH2 Q12809 4/20 0.43

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
SCHEMBL1875797 1.00 HRH3 (0.54) HRH3NPC1RAB9AALDH1A1CYP2D6
SCHEMBL28966903 0.78 CYP2D6 (0.63) HRH3ALDH1A1CYP2D6KCNH2
SCHEMBL3633820 0.77 CYP2D6 (0.53) ALDH1A1CYP2D6POLB
SCHEMBL3633822 0.77 CYP2D6 (0.53) ALDH1A1CYP2D6POLB
SCHEMBL30301983 0.77 CYP2D6 (0.55) ALDH1A1CYP2D6POLBKCNH2
SCHEMBL28414380 0.76 CYP2D6 (0.64) NPC1RAB9AALDH1A1CYP2D6POLB
SCHEMBL28966921 0.76 CYP2D6 (0.59) HRH3ALDH1A1CYP2D6
SCHEMBL1431545 0.76 ALDH1A1 (0.55) HRH3ALDH1A1CYP2D6POLB
SCHEMBL3631591 0.76 ALDH1A1 (0.55) HRH3ALDH1A1CYP2D6POLB
SCHEMBL1431546 0.76 ALDH1A1 (0.55) HRH3ALDH1A1CYP2D6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300422-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2014-11-05 EP disclosed
US-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-05-05 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-20110105459-A1 AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 HRH3 2/4885NPC1 2956/4885RAB9A 1843/4885

“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.