SCHEMBL12901552

SCHEMBL12901552

C[N+]1(C2=NOC3(CCN(C(=O)OCc4ccccc4)CC3)C2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALOX15 P16050 2/20 0.47
GAA P10253 1/20 0.47
ACACB O00763 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 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
SCHEMBL12901486 0.80 MEN1 (0.54) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL12901551 0.80 MEN1 (0.51) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL541133 0.78 MEN1 (0.63) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL5118051 0.78 MEN1 (0.52) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL5123937 0.77 MEN1 (0.51) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL17572223 0.75 MEN1 (0.66) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL23182997 0.74 MEN1 (0.61) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL19622346 0.74 MEN1 (0.61) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL934263 0.74 MEN1 (0.64) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL16624140 0.74 GRIN2B (0.47) MEN1KMT2ANPSR1ALDH1A1SMN1; 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 5 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

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 MEN1 4812/4885KMT2A 2280/4885NPSR1 853/4885
US-20150099738-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 MEN1 4812/4885KMT2A 2280/4885NPSR1 853/4885

“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.