SCHEMBL6095095

SCHEMBL6095095

O=C1CC(CN2CCOCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 2/20 0.38
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
BUB1 O43683 1/20 0.36
DAO P14920 1/20 0.36
LMNA P02545 1/20 0.36
HTR2C P28335 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5786444 0.80 CHRM5 (0.50) HRH3THRBTSHRMAPT
SCHEMBL5787127 0.78 CHRM5 (0.54) HRH3LMNATSHRMAPT
SCHEMBL12014394 0.77 CHRM5 (0.38) HRH3GAATHRBALDH1A1DAO
SCHEMBL14535216 0.75 CHRM5 (0.48) HRH3GAATHRBHSD17B10KDM4E
SCHEMBL7562139 0.75 CHRM5 (0.48) HRH3GAATHRBHSD17B10KDM4E
SCHEMBL27625615 0.72 SIGMAR1 (0.67) HTR2C
SCHEMBL16128219 0.72 EBP (0.42) THRBDAO
SCHEMBL1515108 0.71 CHRM5 (0.62) HRH3GAATHRBALDH1A1
SCHEMBL18999837 0.71 CHRM5 (0.56) HRH3GAATHRBALDH1A1
SCHEMBL4135252 0.71 CHRM5 (0.40) HRH3GAATHRBKDM4EALDH1A1

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
US-7115600-B2 Histamine-3 receptor modulators PFIZER INC. (US) 2006-10-03 US disclosed
US-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker PFIZER INC 2005-08-04 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-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker HRH3, HRH4, HRH1 HRH3 1/4885GAA 173/4885THRB 239/4885

“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.