SCHEMBL2371403

SCHEMBL2371403

CCN(CC)c1ccc2c(=O)c3cc(Br)ccc3oc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.48
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
GBA1 P04062 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PIM1 P11309 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 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
SCHEMBL2371734 0.76 TBK1 (0.54) TBK1HSD17B10KDM4EPOLBKMT2A
SCHEMBL2588529 0.71 PIM1 (0.58) TBK1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL29416622 0.71 PIM1 (0.58) TBK1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL2372134 0.69 TBK1 (0.53) TBK1HSD17B10KDM4EPOLBKMT2A
SCHEMBL1794300 0.69 ALDH1A1 (0.67) TBK1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL177371 0.69 TBK1 (0.55) TBK1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL47040 0.68 PIM1 (0.51) TBK1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL30593469 0.68 PIM1 (0.51) TBK1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL5746898 0.68 ALDH1A1 (0.65) TBK1HSD17B10KDM4EKMT2AALDH1A1
SCHEMBL5746890 0.68 ALDH1A1 (0.65) TBK1HSD17B10KDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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 (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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP TBK1 2235/4885HSD17B10 1766/4885KDM4E 2994/4885

“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.