SCHEMBL3805232

SCHEMBL3805232

CC(C)(C)C(NC(=O)O)C1(COc2cncc(Br)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CASP3 P42574 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 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
SCHEMBL3773660 0.84 CYP4A11 (0.31)
SCHEMBL3773043 0.83 KMT2A (0.31)
SCHEMBL3773302 0.83 CYP4A11 (0.34)
SCHEMBL3780621 0.82 AKT1 (0.33) CHRNB2CHRNA4
SCHEMBL3775790 0.81 CHRNB1 (0.40) CHRNB2ALDH1A1LMNA
SCHEMBL3774460 0.81 CTSA (0.42) CHRNB2CYP1A2CYP3A4CYP2C9
SCHEMBL3776413 0.81 CHRNB1 (0.40) CHRNB2CYP3A4MAPK1
SCHEMBL3768293 0.81 CHRNB1 (0.43) CHRNB2
SCHEMBL3780593 0.81 MAPT (0.36)
SCHEMBL3778996 0.80 KDR (0.37)

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 CHRNB2 18/4885CHRNA4 8/4885CASP3 4029/4885

“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.