SCHEMBL200375

SCHEMBL200375

CC(C)(Oc1ccc([N+](=O)[O-])cn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
HSPB1 P04792 2/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARD Q03181 2/20 0.46
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
PABPC1 P11940 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAP4K4 O95819 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
GABRA5 P31644 1/20 0.41
ADRA2A P08913 1/20 0.40

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
SCHEMBL11549503 0.83 HSPB1 (0.53) CYP2C19HSPB1MAPTNPSR1GAA
SCHEMBL200191 0.80 CYP2C19 (0.46) CYP2C19MAPTRAB9AMEN1KMT2A
SCHEMBL17633311 0.76 HSPB1 (0.53) CYP2C19HSPB1MAPTNPSR1GAA
SCHEMBL3475307 0.76 MAP4K4 (0.49) CYP2C19MAPTPPARDCYP1A2RAB9A
SCHEMBL4002337 0.76 PPARD (0.63) CYP2C19MAPTPPARDGAACYP1A2
SCHEMBL17633171 0.75 CYP2C19 (0.52) CYP2C19HSPB1MAPTNPSR1GAA
SCHEMBL10056 0.75 MAPT (0.51) CYP2C19HSPB1MAPTNPSR1GAA
SCHEMBL3474425 0.75 MAP4K4 (0.48) CYP2C19MAPTPPARDCYP1A2MEN1
SCHEMBL27888023 0.75 GAA (0.54) CYP2C19HSPB1MAPTNPSR1GAA
SCHEMBL2824496 0.75 MAP4K4 (0.61) CYP2C19MAPTPPARDCYP1A2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088926-B2 Substituted 2-methyl-2-phenoxy-N-propyl-propionamides as cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-01-03 US disclosed
WO-2008144604-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-11-27 WO disclosed
US-20080287505-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-11-20 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-20080287505-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 CYP2C19 1533/4885HSPB1 3170/4885MAPT 4238/4885

“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.