SCHEMBL1128637

SCHEMBL1128637

CC(C)(O)C(C)(C)OB(O)c1ccc(C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DRD2 P14416 2/20 0.47
CHRM4 P08173 5/20 0.47
ACHE P22303 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CCR5 P51681 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42

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 0.80 MEN1 (0.60) MEN1KMT2ADRD2CHRM4ACHE
SCHEMBL3481867 0.80 ESR2 (0.37) MEN1KMT2A
SCHEMBL1129060 0.79 USP5 (0.46) MEN1KMT2AHDAC6
SCHEMBL27805388 0.78 KMT2A (0.55) MEN1KMT2ADRD2CHRM4ACHE
SCHEMBL3584969 0.78 ALDH1A1 (0.47) HDAC6
SCHEMBL13277275 0.77 SMN1; SMN2 (0.49) KMT2A
Hydrochloric Acid SCHEMBL3619140 0.76 SMN1; SMN2 (0.48) MEN1KMT2A
SCHEMBL18580511 0.76 ALDH1A1 (0.48) MEN1KMT2AACHE
SCHEMBL1774449 0.75 LTA4H (0.40)
SCHEMBL6696511 0.75 NPY2R (0.45) DRD2DRD4

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 5 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-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
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP 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 2097/4885DRD2 1252/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 MEN1 4220/4885KMT2A 2097/4885DRD2 1252/4885

“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.