SCHEMBL3779571

SCHEMBL3779571

CC(C)(C)N(CC1(COc2cnc(Cl)c(-c3ccc(-c4nn[nH]n4)cc3)c2)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.38
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
MAP4K4 O95819 1/20 0.34
GRM2 Q14416 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CXCR3 P49682 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL3777217 0.93 CREBBP (0.40) CYP2C9CYP2C19
SCHEMBL3781385 0.86 FFAR4 (0.38) MAP4K4FFAR4
SCHEMBL3779166 0.86 FFAR4 (0.38) MAP4K4FFAR4
SCHEMBL3782751 0.86 FFAR4 (0.41) MAP4K4FFAR4
SCHEMBL3771878 0.85 FFAR4 (0.39) MAP4K4FFAR4
SCHEMBL3777920 0.84 FFAR4 (0.36) FFAR4
SCHEMBL3770372 0.82 FFAR4 (0.35) TP53LMNAL3MBTL1FFAR4
SCHEMBL3137255 0.82 XDH (0.41) XDHAGTR1AGTR2ALDH1A1TP53
SCHEMBL3137247 0.82 XDH (0.39) XDHALDH1A1TP53LMNAMAP4K4
SCHEMBL3778433 0.81 ABL1 (0.39) ALDH1A1LMNAFFAR4

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 974/4885AGTR1 249/4885AGTR2 262/4885

“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.