SCHEMBL3778433

SCHEMBL3778433

CC(C)(C)N(CC1(COc2cnc(Cl)c(-c3cccnc3)c2)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PDK2 Q15119 1/20 0.34
CYP11B2 P19099 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
CYP11B1 P15538 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3782751 0.92 FFAR4 (0.41) FFAR4PDK2
SCHEMBL3777920 0.91 FFAR4 (0.36) THRATHRBFFAR4SLC22A12
SCHEMBL3779583 0.89 PDK2 (0.35) ABL1PDK2CYP11B2P4HTMCYP11B1
SCHEMBL3774165 0.87 FFAR4 (0.35) THRATHRBFFAR4ALDH1A1LMNA
SCHEMBL3781385 0.87 FFAR4 (0.38) FFAR4
SCHEMBL3779166 0.87 FFAR4 (0.38) THRATHRBFFAR4
SCHEMBL3771878 0.86 FFAR4 (0.39) FFAR4SLC22A12SMN1; SMN2
SCHEMBL3770372 0.83 FFAR4 (0.35) FFAR4LMNASMN1; SMN2
SCHEMBL3777217 0.82 CREBBP (0.40) SLC22A12
SCHEMBL3772974 0.81 FFAR4 (0.36) FFAR4

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 ABL1 1469/4885THRA 234/4885THRB 226/4885

“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.