SCHEMBL3772254

SCHEMBL3772254

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
CYP11B2 P19099 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
SGK1 O00141 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ABL1 P00519 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP11B1 P15538 1/20 0.34
CTSA P10619 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL3780254 0.90 XDH (0.40) EGLN1CYP11B2SLC22A12GPR119CHRNB2
SCHEMBL3765825 0.87 XDH (0.40) EGLN1SLC22A12CHRNB2CHRNA4
SCHEMBL3765740 0.87 CYP11B1 (0.39) EGLN1CYP11B2BRD4CYP11B1
SCHEMBL3774126 0.86 CNR2 (0.41) EGLN1SLC22A12CNR2
SCHEMBL3778997 0.86 DGAT1 (0.36) EGLN1CYP11B2CHRNB2CHRNA4CYP11B1
SCHEMBL3770733 0.86 SLC22A12 (0.38) EGLN1SLC22A12SGK1HRH2HRH1
SCHEMBL3768530 0.86 SLC22A12 (0.38) EGLN1SLC22A12GABRG2GABRB3GABRA5
SCHEMBL3771010 0.83 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL3780464 0.83 AKT1 (0.44) CYP11B2CYP11B1
SCHEMBL3771516 0.81 NR1H4 (0.36) CYP11B2ABL1CTSA

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 EGLN1 3487/4885CYP11B2 804/4885SLC22A12 3272/4885

“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.