SCHEMBL3773722

SCHEMBL3773722

CC(C)(C)N(CC1(COc2cnc(Cl)c(-c3ccc(NC(=O)CCl)cc3)c2)CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR4 Q5NUL3 2/20 0.34
HIF1A Q16665 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP2K7 O14733 1/20 0.33
RNF4 P78317 1/20 0.33
ABL1 P00519 3/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3779166 0.87 FFAR4 (0.38) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3781385 0.87 FFAR4 (0.38) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3782751 0.86 FFAR4 (0.41) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3771878 0.86 FFAR4 (0.39) SMN1; SMN2FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3777920 0.85 FFAR4 (0.36) FFAR4CHRNB4CHRNA3CHRNA7
SCHEMBL3770372 0.83 FFAR4 (0.35) SMN1; SMN2NPC1RAB9AFFAR4MAPT
SCHEMBL3145499 0.82 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2NPC1MITF
SCHEMBL3145508 0.81 ALDH1A1 (0.38) GSTO1ALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL3778433 0.81 ABL1 (0.39) ALDH1A1SMN1; SMN2FFAR4ABL1LMNA
SCHEMBL3772974 0.81 FFAR4 (0.36) FFAR4CHRNB4CHRNA3CHRNA7

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 GSTO1 3273/4885ALDH1A1 1255/4885HTT 2626/4885

“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.