SCHEMBL3774204

SCHEMBL3774204

COc1cc(-c2cncc(OCC3(N(C)C(=O)O)CC3)c2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 3/20 0.38
TGFBR1 P36897 2/20 0.38
ACVR1B P36896 1/20 0.38
MAP3K11 Q16584 4/20 0.38
SYK P43405 1/20 0.37
TP53 P04637 1/20 0.36
FYN P06241 2/20 0.35
CASR P41180 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
BRAF P15056 1/20 0.34
CYP11B2 P19099 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 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
SCHEMBL3155856 0.86 FPR2 (0.38) ACVR1
SCHEMBL3146037 0.85 MAP4K4 (0.45) FYNMKNK1MKNK2CYP11B2
SCHEMBL3150665 0.84 CYP11B2 (0.35) CYP11B2
SCHEMBL3146952 0.83 CHRNB2 (0.44) MKNK1MKNK2CYP11B2
SCHEMBL3151919 0.83 CYP11B1 (0.42) MKNK1MKNK2CYP11B2
SCHEMBL3772192 0.81 CHRNB2 (0.43) MKNK1MKNK2CYP11B2
SCHEMBL3155835 0.81 CHRNB1 (0.44) MKNK1MKNK2
SCHEMBL3150649 0.80 XDH (0.37) MKNK1MKNK2CYP11B2
SCHEMBL3137070 0.79 XDH (0.43)
SCHEMBL3142660 0.79 MKNK1 (0.36) MKNK1MKNK2CYP11B2

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 ACVR1 334/4885TGFBR1 305/4885ACVR1B 242/4885

“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.