SCHEMBL3915501

SCHEMBL3915501

O=C(O)CC1C[C@H]2CC[C@H]1C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD11B1 P28845 1/20 0.48
SLC6A12 P48065 3/20 0.46
SLC6A11 P48066 3/20 0.46
SLC6A13 Q9NSD5 3/20 0.46
P2RX7 Q99572 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12832578 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL3915502 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL189532 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL7269130 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL5449679 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL1527314 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL1527315 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL20573107 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL20573120 1.00 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHSD11B1
SCHEMBL11611772 0.89 SLC6A12 (0.48) MEN1NPC1RAB9AKMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008866-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-01-10 US disclosed
EP-3089970-B1 DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
US-10085985-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-10-02 US disclosed
US-20160331749-A1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2016-11-17 US disclosed
EP-3089970-A1 DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-11-09 EP disclosed
US-9428514-B2 Bromodomain inhibitors ABBVIE INC. (US) 2016-08-30 US disclosed
WO-2015089075-A1 DIHYDROPYRIDINONE AND DIHYDROPYRIDAZINONE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2015-06-18 WO disclosed
US-20150158873-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2015-06-11 US disclosed
EP-1797065-A4 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
EP-1797065-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029210-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 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 (5 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-10085985-B2 Bromodomain inhibitors BRD4, BRD3, BRD1 MEN1 596/4885NPC1 2523/4885RAB9A 3453/4885
US-20190008866-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MEN1 596/4885NPC1 2523/4885RAB9A 3453/4885
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 MEN1 1683/4885NPC1 688/4885RAB9A 3846/4885
US-20160331749-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MEN1 596/4885NPC1 2523/4885RAB9A 3453/4885
US-20150158873-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MEN1 596/4885NPC1 2523/4885RAB9A 3453/4885

“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.