SCHEMBL12901458

SCHEMBL12901458

BrC1=NO[C@]2(CC[C@@H](c3ccccc3)CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
GRIN2B Q13224 1/20 0.34
TACR1 P25103 2/20 0.33
TRPA1 O75762 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
IDO1 P14902 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA1B P35368 1/20 0.32
DHFR P00374 1/20 0.31

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
SCHEMBL12901435 1.00 SLC18A3 (0.37) SLC18A3SIGMAR1ALDH1A1ALOX15GRIN2B
SCHEMBL12901461 1.00 SLC18A3 (0.37) SLC18A3SIGMAR1ALDH1A1ALOX15GRIN2B
SCHEMBL12516740 0.81 ALDH1A1 (0.40) SLC18A3SIGMAR1ALDH1A1ALOX15TACR1
SCHEMBL2210855 0.80 CHRNB4 (0.49) SLC18A3SIGMAR1ALDH1A1ALOX15POLB
SCHEMBL2527130 0.76 SLC18A3 (0.47) SLC18A3SIGMAR1ALDH1A1ALOX15GRIN2B
SCHEMBL4621179 0.75 SCD5 (0.39) SLC18A3SIGMAR1ALDH1A1ALOX15POLB
SCHEMBL4620189 0.75 NLRP3 (0.47) ALDH1A1ALOX15POLB
SCHEMBL12901466 0.75 TDP1 (0.39)
SCHEMBL12901465 0.75 TDP1 (0.39)
SCHEMBL12901440 0.75 TDP1 (0.39)

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-20150099738-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2015-04-09 US disclosed
US-20150099738-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2015-04-09 US disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
US-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 US disclosed
WO-2010135360-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-11-25 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-20110034437-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 SLC18A3 2158/4885SIGMAR1 1821/4885ALDH1A1 47/4885
US-20150099738-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 SLC18A3 2158/4885SIGMAR1 1821/4885ALDH1A1 47/4885

“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.