SCHEMBL200043

SCHEMBL200043

CC(Oc1ccc([N+](=O)[O-])cn1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
HTR2A P28223 1/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3475298 0.81 CXCR2 (0.49) GABRA5L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL29562227 0.78 GABRA5 (0.57) GABRA5L3MBTL1LMNAPOLBSMN1; SMN2
SCHEMBL221576 0.78 GABRA5 (0.57) GABRA5L3MBTL1LMNAPOLBSMN1; SMN2
SCHEMBL200191 0.78 CYP2C19 (0.46) GABRA5L3MBTL1POLBSMN1; SMN2PKM
SCHEMBL4615407 0.78 POLB (0.47) ITGA4ITGB7POLBSMN1; SMN2PKM
SCHEMBL201455 0.78 L3MBTL1 (0.48) GABRA5L3MBTL1LMNAALDH1A1TDP1
SCHEMBL3370056 0.77 L3MBTL1 (0.52) L3MBTL1LMNAPOLBSMN1; SMN2PKM
SCHEMBL306639 0.74 HSPB1 (0.53) GABRA5L3MBTL1POLBSMN1; SMN2ALDH1A1
SCHEMBL29592309 0.73 HTR2A (0.62) HTR2AITGA4ITGB7SMN1; SMN2ALDH1A1
SCHEMBL14659339 0.73 GABRA5 (0.49) GABRA5L3MBTL1LMNAPOLBSMN1; 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 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 GABRA5 299/4885L3MBTL1 3370/4885LMNA 2674/4885

“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.