SCHEMBL2189394

SCHEMBL2189394

CN(CCc1ccccc1Br)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PDK2 Q15119 1/20 0.41
RIPK1 Q13546 1/20 0.40
GBA1 P04062 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
SSTR4 P31391 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL4059871 0.92 TAAR1 (0.47) TAAR1CTSSCTSKMEN1NPC1
SCHEMBL4393441 0.90 TAAR1 (0.46) TAAR1CTSSCTSKMEN1NPC1
SCHEMBL15261600 0.85 HTR2C (0.43) TAAR1CTSSCTSKMEN1NPC1
SCHEMBL24192078 0.85 PYCR1 (0.44) TAAR1CTSSCTSKPDK2RIPK1
SCHEMBL7651312 0.84 HTR1A (0.47) TAAR1CDK4CCND1NPC1RAB9A
SCHEMBL4388596 0.82 HTR2C (0.41) TAAR1CDK4CCND1PDK2RIPK1
SCHEMBL16268774 0.82 RIPK1 (0.45) TAAR1CTSSCTSKMEN1NPC1
SCHEMBL7647720 0.82 SIGMAR1 (0.42) CDK4CCND1PDK2GBA1HTR2C
SCHEMBL7458715 0.80 MLYCD (0.50) TAAR1CTSKKMT2AHTR2CSLC6A4
SCHEMBL29004738 0.80 GBA1 (0.45) TAAR1CTSSCTSKMEN1NPC1

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-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

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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 TAAR1 597/4885CDK4 2638/4885CCND1 4497/4885

“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.