SCHEMBL10116451

SCHEMBL10116451

CC(C)(C)C(=O)Oc1cc(F)c(C(O)CN)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.54
ADRA2C P18825 4/20 0.54
ADRA1A P35348 4/20 0.54
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54
CYP3A4 P08684 2/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
APEX1 P27695 1/20 0.53
RAD52 P43351 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 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
SCHEMBL12287039 0.95 ADRB2 (0.54) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL10116459 0.90 ADRA1A (0.46) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL10116454 0.84 CYP3A4 (0.43) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL10133023 0.81 ADRA1A (0.54) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL10116452 0.79 ALDH1A1 (0.49) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL13158583 0.72 ADRA2A (1.00) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL1691820 0.72 ADRA2A (1.00) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL16687896 0.71 ALDH1A1 (0.44) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL23339689 0.70 LMNA (0.71) ADRB2ADRA2CADRA1AADRA2AADRA2B
SCHEMBL11526487 0.70 LMNA (0.71) ADRB2ADRA2CADRA1AADRA2AADRA2B

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-9023788-B2 Methods compounds and pharmaceutical compositions for treating anxiety and mood disorders NEW YORK UNIVERSITY (US) 2015-05-05 US disclosed
US-9023788-B2 Methods compounds and pharmaceutical compositions for treating anxiety and mood disorders NEW YORK UNIVERSITY (US) 2015-05-05 US disclosed
WO-2012142388-A2 METHODS, COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING ANXIETY AND MOOD DISORDERS NEW YORK UNIVERSITY (US) 2012-10-18 WO disclosed
US-20120010125-A1 Methods, compounds and pharmaceutical compositions for treating anxiety and mood disorders STONE ERIC A (US) 2012-01-12 US disclosed
WO-2011133212-A1 METHODS, COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING ANXIETY AND MOOD DISORDERS NEW YORK UNIVERSITY (US) 2011-10-27 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-20120010125-A1 Methods, compounds and pharmaceutical compositions for treating anxiety and mood disorders HTR1B, HTR1A, HTR2B ADRB2 49/4885ADRA2C 28/4885ADRA1A 20/4885

“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.