SCHEMBL3780467

SCHEMBL3780467

CC(=O)Nc1cccc(-c2cncc(OCC3(N(CC(C)(C)C)C(=O)O)CC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.44
FYN P06241 5/20 0.42
BRAF P15056 5/20 0.42
PIP4K2A P48426 3/20 0.42
PIP4K2B P78356 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CYP17A1 P05093 5/20 0.40
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.38

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
SCHEMBL3145816 0.86 AKT1 (0.47) AKT1FYNBRAFPIP4K2APIP4K2B
SCHEMBL3765742 0.86 CYP11B1 (0.39) CYP11B2CYP11B1
SCHEMBL3774129 0.85 XDH (0.39)
SCHEMBL3778998 0.85 CYP11B2 (0.36) AKT1CYP11B2
SCHEMBL3771523 0.81 NR1H4 (0.36)
SCHEMBL3780464 0.81 AKT1 (0.44) AKT1FYNBRAFPIP4K2APIP4K2B
SCHEMBL3776422 0.81 CHRNB1 (0.41) AKT1CYP11B2CYP11B1
SCHEMBL3775795 0.81 CHRNB1 (0.41)
SCHEMBL3780599 0.80 XDH (0.34) AKT1CYP11B2CYP11B1
SCHEMBL3780631 0.80 CYP11B2 (0.33) CYP11B2CYP11B1

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 AKT1 1820/4885FYN 753/4885BRAF 2473/4885

“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.