SCHEMBL5981707

SCHEMBL5981707

CC(C)(C)OC(=O)[C@H](Cc1ccc(Cl)cc1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.61
PPARG P37231 9/20 0.41
PPARA Q07869 9/20 0.41
CNR1 P21554 5/20 0.41
CNR2 P34972 4/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 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
SCHEMBL5981702 1.00 AAK1 (0.61) AAK1PPARGPPARACNR1CNR2
SCHEMBL548006 0.91 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL3219664 0.91 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL548007 0.91 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL12568248 0.89 AAK1 (0.62) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL29389786 0.89 AAK1 (0.62) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL22033186 0.89 AAK1 (0.62) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL30949483 0.89 AAK1 (0.62) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL18511393 0.88 AAK1 (0.65) AAK1PPARGPPARACNR1ITGA4
SCHEMBL977220 0.88 AAK1 (0.61) AAK1PPARGPPARAITGA4ITGB7

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-7115766-B2 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORP. (US) 2006-10-03 US disclosed
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 US disclosed
WO-2002044144-A2 NUCLEOPHILIC APPROACH FOR PREPARING RADIOLABELED IMAGING AGENTS AND ASSOCIATED COMPOUNDS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-06-06 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 (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-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds SNCA, PARK7, SAMHD1 AAK1 3662/4885PPARG 3359/4885PPARA 3239/4885

“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.