SCHEMBL154116

SCHEMBL154116

CCOC(=O)C1(Cl)CCCn2c(-c3ccc(-n4cnc(C)c4)c(OC)n3)nnc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.40
PSEN2 P49810 14/20 0.40
APH1B Q8WW43 14/20 0.40
NCSTN Q92542 14/20 0.40
APH1A Q96BI3 14/20 0.40
PSENEN Q9NZ42 14/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2C19 P33261 5/20 0.40
CYP2C9 P11712 4/20 0.40
KCNH2 Q12809 4/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 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
SCHEMBL155625 0.84 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138138 0.82 APP (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155541 0.82 APP (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL156102 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL156707 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL151147 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154104 0.78 CYP2C9 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL158018 0.75 APP (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139613 0.73 APP (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138117 0.72 PSEN1 (0.46) 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
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 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 (3 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 7/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885

“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.