SCHEMBL965140

SCHEMBL965140

COc1cc(Nc2nc(C(CCCCCl)c3ccc(F)cc3)n[nH]2)ccc1-c1cnnc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.43
PSEN2 P49810 7/20 0.43
APH1B Q8WW43 7/20 0.43
NCSTN Q92542 7/20 0.43
APH1A Q96BI3 7/20 0.43
PSENEN Q9NZ42 7/20 0.43
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
KCNH2 Q12809 1/20 0.33
METAP2 P50579 6/20 0.33
CRHR1 P34998 1/20 0.31
BRAF P15056 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL2487527 0.72 AAK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963356 0.72 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964150 0.71 IMPDH2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963213 0.71 AAK1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960321 0.69 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2487524 0.67 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963081 0.67
SCHEMBL960675 0.63 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964387 0.63 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964691 0.62 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 PSEN1 6/4885PSEN2 7/4885APH1B 13/4885

“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.