SCHEMBL3780254

SCHEMBL3780254

CC(C)(C)N(CC1(COc2cncc(-c3ccc(C#N)cc3)c2)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
SLC22A12 Q96S37 4/20 0.38
EGLN1 Q9GZT9 3/20 0.37
PTGER4 P35408 1/20 0.37
PTGER2 P43116 1/20 0.37
PTGDR Q13258 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
MMP2 P08253 2/20 0.36
AKT1 P31749 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MMP3 P08254 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PAX8 Q06710 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
SCHEMBL3772254 0.90 EGLN1 (0.39) GPR119SLC22A12EGLN1CYP11B1CYP11B2
SCHEMBL3776417 0.87 CHRNB1 (0.41) XDHSCN10AAKT1CYP11B1CYP11B2
SCHEMBL3775792 0.87 CHRNB1 (0.41) XDHSLC22A12EGLN1KCNH2SCN10A
SCHEMBL3774462 0.87 MAP4K4 (0.41) SLC22A12CYP11B1CYP11B2CHRNB2
SCHEMBL3780596 0.87 CTPS1 (0.34) XDHSLC22A12EGLN1AKT1CYP11B1
SCHEMBL3779591 0.85 EGLN1 (0.38) SLC22A12EGLN1KCNH2AKT1
SCHEMBL3780227 0.85 EGLN1 (0.38) SLC22A12EGLN1KCNH2AKT1
SCHEMBL3770619 0.84 CHRNB1 (0.36) MAPTCHRNB2
SCHEMBL3780627 0.82 CYP11B2 (0.35) XDHSLC22A12CYP11B1CYP11B2CHRNB2
SCHEMBL3765825 0.82 XDH (0.40) XDHSLC22A12EGLN1CHRNB2CHRNA4

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 XDH 974/4885GPR119 136/4885SLC22A12 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.