SCHEMBL3765740

SCHEMBL3765740

COc1cccc(-c2cncc(OCC3(CN(C(=O)O)C(C)(C)C)CC3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
BRD4 O60885 1/20 0.39
KDR P35968 1/20 0.38
CHEK2 O96017 1/20 0.36
LMNA P02545 1/20 0.36
ALOX5AP P20292 1/20 0.36
FFAR1 O14842 1/20 0.36
TYRO3 Q06418 1/20 0.36
HSD17B2 P37059 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
VDR P11473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
WNT3A P56704 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL3765825 0.90 XDH (0.40) ALOX5APFFAR1EGLN1
SCHEMBL3774462 0.90 MAP4K4 (0.41) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL3774126 0.90 CNR2 (0.41) KDREGLN1
SCHEMBL3778997 0.90 DGAT1 (0.36) CYP11B1CYP11B2KDREGLN1GSK3B
SCHEMBL3772254 0.87 EGLN1 (0.39) CYP11B1CYP11B2BRD4EGLN1
SCHEMBL3771010 0.86 CHRNB2 (0.48) LMNA
SCHEMBL3780464 0.86 AKT1 (0.44) CYP11B1CYP11B2
SCHEMBL3774165 0.85 FFAR4 (0.35) LMNAHSD17B2DGAT2
SCHEMBL3771516 0.85 NR1H4 (0.36) CYP11B2
SCHEMBL3776417 0.84 CHRNB1 (0.41) CYP11B1CYP11B2MKNK1MKNK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG CYP11B1 931/4885CYP11B2 804/4885BRD4 1123/4885

“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.