SCHEMBL6124671

SCHEMBL6124671

Cc1cn(-c2ccc(Br)c3c2CC3)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.37
CYP2A6 P11509 1/20 0.37
PSEN1 P49768 14/20 0.37
PSEN2 P49810 14/20 0.37
APH1B Q8WW43 14/20 0.37
NCSTN Q92542 14/20 0.37
APH1A Q96BI3 14/20 0.37
PSENEN Q9NZ42 14/20 0.37
KCNH2 Q12809 3/20 0.37
LMNA P02545 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL6127898 0.83 PSEN1 (0.40) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL6124667 0.77 MAOA (0.38) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL27747138 0.73 CYP2E1 (0.45) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL22524473 0.71 CYP2E1 (0.37) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL12913758 0.70 HCAR1 (0.47) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL7905897 0.70 CYP2E1 (0.39) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL15108134 0.69 PSEN1 (0.34) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL909230 0.68 PSEN1 (0.39) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL7803932 0.68 CYP2E1 (0.37) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL12796811 0.67 CYP2E1 (0.42) CYP2E1CYP2A6PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 4096/4885CYP2A6 3065/4885PSEN1 3/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 3713/4885CYP2A6 3007/4885PSEN1 3/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 CYP2E1 4069/4885CYP2A6 2676/4885PSEN1 3/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN CYP2E1 4343/4885CYP2A6 3937/4885PSEN1 4/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CYP2E1 3864/4885CYP2A6 3144/4885PSEN1 3/4885

“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.