SCHEMBL3773540

SCHEMBL3773540

CC(C)(C)C(NC(=O)O)C1(CNc2cncc(Br)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 8/20 0.35
CASP3 P42574 2/20 0.35
ALDH1A1 P00352 2/20 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
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32
CXCR3 P49682 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
SCHEMBL3778331 0.83 SYK (0.31)
SCHEMBL3765793 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3805232 0.79 CHRNB2 (0.35) CASP3ALDH1A1USP2TP53ALOX15
SCHEMBL3772244 0.78 CASP3 (0.34) CASP3ALDH1A1USP2TP53ALOX15
SCHEMBL3765627 0.75 CASP3 (0.41) CASP3ALDH1A1USP2TP53ALOX15
SCHEMBL3843142 0.73 ABL1 (0.36)
SCHEMBL3145935 0.72 POLB (0.37) CASP3ALDH1A1ALOX15CYP1A2CYP3A4
SCHEMBL3773545 0.71 SMN1; SMN2 (0.33) CASP3ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL3145942 0.70 HTT (0.38) CASP3ALDH1A1TP53MAPK1CYP1A2
SCHEMBL22347350 0.69 POLB (0.37) CASP3ALDH1A1TP53ALOX15CYP1A2

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 KCNJ11 2767/4885CASP3 4029/4885ALDH1A1 1255/4885

“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.