SCHEMBL368871

SCHEMBL368871

CN(CCCOc1cc([N+](=O)[O-])ccc1-n1cnc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 1/20 0.36
CPB2 Q96IY4 1/20 0.35
BCHE P06276 4/20 0.34
ACHE P22303 4/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
CYP19A1 P11511 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL10279382 0.85 CPB2 (0.36) CPB2KAT6AKAT5CYP1A2CYP2D6
SCHEMBL370187 0.84 RAB9A (0.48) RAB9AGABRA1GABRG2GABRB3GABRA5
SCHEMBL10279379 0.81 GABRA1 (0.36) RAB9AGABRA1GABRG2GABRB3GABRA5
SCHEMBL368243 0.80 BCHE (0.41) RAB9AGABRA1GABRG2GABRB3GABRA5
SCHEMBL31534607 0.79 RAB9A (0.45) RAB9ACYP19A1MAPTNPC1CYP1A2
SCHEMBL10279322 0.78 MAPT (0.41) RAB9ACYP19A1MAPTNPC1CYP1A2
SCHEMBL368643 0.77 RAB9A (0.45) RAB9ACYP19A1MAPTNPC1CYP1A2
SCHEMBL10352919 0.77 CYP19A1 (0.39) RAB9ABCHEACHEAURKARPS6KB1
SCHEMBL362429 0.76 CYP19A1 (0.38) RAB9ABCHEACHEAURKARPS6KB1
SCHEMBL4009169 0.75 RAB9A (0.55) RAB9AMAPTNPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
EP-2593461-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637523-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2593461-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-05-22 EP disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
US-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-07-19 US disclosed
WO-2012009309-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 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-20120184565-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP RAB9A 1822/4885GABRA1 1124/4885GABRG2 1487/4885

“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.