SCHEMBL12419666

SCHEMBL12419666

CC(C)c1ccc(CN2CCC(c3ccc(B(O)O)cc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.43
DRD2 P14416 3/20 0.43
BCHE P06276 2/20 0.42
FAAH O00519 2/20 0.41
ACHE P22303 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL12419665 0.82 MEN1 (0.60) MEN1KMT2ADRD2ACHEHDAC1
SCHEMBL19697827 0.80 MEN1 (0.54) MEN1KMT2AALDH1A1DRD2ACHE
SCHEMBL3397349 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1LMNADRD2
SCHEMBL14924016 0.76 HRH3 (0.57) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL18580991 0.76 HRH3 (0.67) MEN1KMT2AALDH1A1ACHEHRH3
SCHEMBL24240460 0.76 MEN1 (0.55) MEN1KMT2AALDH1A1LMNADRD2
SCHEMBL22804562 0.76 SLC18A3 (0.49) DRD2
SCHEMBL22804564 0.76 SLC18A3 (0.49) DRD2
Bromide SCHEMBL22804321 0.75 DRD2 (0.47) DRD2HRH3
SCHEMBL17465246 0.74 HRH3 (0.69) MEN1KMT2AALDH1A1HTTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO 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 (2 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 MEN1 4220/4885KMT2A 2097/4885ALDH1A1 354/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 MEN1 4220/4885KMT2A 2097/4885ALDH1A1 354/4885

“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.