SCHEMBL9776

SCHEMBL9776

Cn1cc(CCCC(N)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
HTT P42858 1/20 0.41
JAK2 O60674 3/20 0.39
JAK3 P52333 3/20 0.39
JAK1 P23458 2/20 0.39
GRM2 Q14416 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
PARG Q86W56 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL4662749 0.91 MEN1 (0.47) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL28856739 0.86 RXRA (0.47) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL23932729 0.82 MEN1 (0.46) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL31753139 0.82 MEN1 (0.41) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL31483076 0.81 SMN1; SMN2 (0.44) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20740304 0.80 MET (0.44) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4573217 0.79 MEN1 (0.48) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4414182 0.79 MEN1 (0.48) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL31483066 0.78 CYP2A6 (0.40) ALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL3327111 0.78 JAK2 (0.40) MEN1KMT2AHSD17B10ALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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 (2 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA MEN1 2251/4885KMT2A 140/4885HSD17B10 291/4885
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP MEN1 4400/4885KMT2A 1441/4885HSD17B10 963/4885

“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.