SCHEMBL1992749

SCHEMBL1992749

COc1ccc2oc3cnc(-c4cccnc4)cc3c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 6/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
HPGD P15428 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
MAOA P21397 2/20 0.55
CYP3A4 P08684 6/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C19 P33261 4/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP11B2 P19099 5/20 0.46

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
SCHEMBL1999075 0.86 BACE1 (0.44) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL2001349 0.82 MAOA (0.52) KDM4ENPC1RAB9AMAPTMAOA
SCHEMBL22868035 0.80 NPC1 (0.71) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL2161251 0.76 ALDH1A1 (1.00) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL29619913 0.76 ALDH1A1 (1.00) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL2000126 0.76 KDM4E (0.69) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL2372062 0.75 KDM4E (0.68) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL1980243 0.75 CHUK (0.61) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL394209 0.72 MAOA (1.00) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL15746186 0.71 MAOA (0.65) KDM4EALDH1A1NPC1RAB9AHPGD

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 9 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-2328903-B1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-03-05 EP disclosed
US-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 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
EP-2328903-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-06-08 EP disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 US disclosed
WO-2010030954-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETASECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-03-18 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4E 2994/4885ALDH1A1 572/4885NPC1 1315/4885
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KDM4E 3745/4885ALDH1A1 392/4885NPC1 1054/4885

“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.