SCHEMBL5733757

SCHEMBL5733757

CC(C)C1C(=O)Nc2cccc(O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
MAOB P27338 1/20 0.37
CREBBP Q92793 3/20 0.37
BRPF1 P55201 1/20 0.37
HDAC4 P56524 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MDM4 O15151 1/20 0.36
CYP3A4 P08684 1/20 0.36
TYR P14679 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL24029081 0.81 TP53 (0.43) MAOBCREBBPBRPF1TP53MAPT
SCHEMBL24019658 0.81 TP53 (0.43) MAOBCREBBPBRPF1TP53MAPT
SCHEMBL24019656 0.81 HTR5A (0.45) MAOBCREBBPBRPF1TP53MAPT
SCHEMBL24740178 0.81 HTR5A (0.45) MAOBCREBBPBRPF1TP53MAPT
SCHEMBL5734748 0.80 CREBBP (0.44) CYP1A2MAOBCREBBPBRPF1MAPT
SCHEMBL23836112 0.79 MAOB (0.42) MAOBCREBBPBRPF1TP53MAPT
SCHEMBL23835846 0.79 MAOB (0.42) MAOBCREBBPBRPF1TP53MAPT
SCHEMBL5733087 0.78 CREBBP (0.40) CREBBPBRPF1MAPTKDM4EALDH1A1
SCHEMBL5732840 0.77 CREBBP (0.40) MAOBCREBBPHDAC4HDAC8TP53
SCHEMBL23836089 0.73 IDO1 (0.46) MAOBCREBBPBRPF1TP53MAPT

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-7122680-B2 3-Substituted oxindole β3 agonsists ELI LILLY AND COMPANY (US) 2006-10-17 US disclosed
EP-1341759-B1 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS LILLY CO ELI (US) 2006-06-14 EP disclosed
US-20050054713-A1 3-Substituted oxindole beta3 agonists JESUDASON CYNTHIA DARSHINI (US) 2005-03-10 US disclosed
US-6825220-B2 INVOLVES THE RELATIONSHIP BETWEEN ADRENERGIC RECEPTOR STIMULATION AND ANTI-HYPERGLYCEMIC EFFECTS ELI LILLY AND COMPANY 2004-11-30 US disclosed
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ELI LILLY AND COMPANY 2004-05-20 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 (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-20050054713-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 CYP1A2 468/4885HIF1A 2596/4885MAOB 569/4885
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ADRB3, ADRB2, ADRB1 CYP1A2 327/4885HIF1A 2466/4885MAOB 377/4885

“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.