SCHEMBL3778997

SCHEMBL3778997

CC(C)(C)N(CC1(COc2cncc(-c3cccc(F)c3)c2)CC1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
GRM5 P41594 2/20 0.35
KDR P35968 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
GRIN2B Q13224 5/20 0.35
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
WNT1 P04628 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
NTRK2 Q16620 1/20 0.33
AURKB Q96GD4 1/20 0.33
AKT1 P31749 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
GRIN1 Q05586 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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) EGLN1GRIN2BGRIN1XDHCHRNB2
SCHEMBL3765740 0.90 CYP11B1 (0.39) KDREGLN1CYP11B2CYP11B1GSK3B
SCHEMBL3776417 0.89 CHRNB1 (0.41) GRIN2BCYP11B2CYP11B1RPS6KB1GSK3A
SCHEMBL3774126 0.89 CNR2 (0.41) GRM5KDREGLN1GRIN2BGRIN1
SCHEMBL3772254 0.86 EGLN1 (0.39) EGLN1CYP11B2CYP11B1PRMT5WDR77
SCHEMBL3780143 0.86 ABL1 (0.34) GRIN2BCYP11B2CYP11B1GSK3BDYRK1A
SCHEMBL3780464 0.85 AKT1 (0.44) CYP11B2CYP11B1AKT1
SCHEMBL3771010 0.85 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL3771516 0.84 NR1H4 (0.36) GRM5CYP11B2
SCHEMBL3775792 0.83 CHRNB1 (0.41) EGLN1XDHCHRNB2

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 DGAT1 4281/4885GRM5 280/4885KDR 172/4885

“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.