SCHEMBL582220

SCHEMBL582220

O=C1c2ccc(Br)cc2CCN1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.51
HRH3 Q9Y5N1 4/20 0.51
ALDH1A1 P00352 2/20 0.49
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
ACHE P22303 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ITGB3 P05106 1/20 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
SCHEMBL8543075 0.92 GRM5 (0.55) GRM5HRH3ALDH1A1ALDH2ALDH3A1
SCHEMBL582129 0.86 ALDH1A1 (0.51) ALDH1A1ALDH2ALDH3A1PRMT5WDR77
SCHEMBL5946784 0.86 GRM5 (0.67) GRM5HRH3ALDH1A1ALDH2ALDH3A1
SCHEMBL28836299 0.84 HRH3 (0.71) GRM5HRH3
SCHEMBL29783123 0.84 HRH3 (0.71) GRM5HRH3
SCHEMBL2627965 0.81 GRM5 (0.48) GRM5HRH3ALDH1A1ACHEHDAC3
SCHEMBL1817669 0.81 GRM5 (0.61) GRM5HRH3PRMT5WDR77
SCHEMBL17511517 0.79 PARP1 (0.49) ALDH1A1ALDH2ALDH3A1PRMT5WDR77
SCHEMBL6111175 0.79 DRD3 (0.47) GRM5HRH3PRMT5WDR77
SCHEMBL4540354 0.78 HRH3 (0.44) GRM5HRH3PRMT5WDR77

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-8802064-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
EP-2416660-B1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC (US) 2014-07-02 EP disclosed
US-20130345173-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
US-8546564-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS INC. 2012-04-19 US disclosed
EP-2416660-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
WO-2010118155-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 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-20130345173-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 GRM5 922/4885HRH3 43/4885ALDH1A1 373/4885
US-20120094957-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, FFAR3 GRM5 986/4885HRH3 39/4885ALDH1A1 393/4885

“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.