SCHEMBL6920547

SCHEMBL6920547

COc1nc(C(=O)NCC2CCCC2)cnc1-n1cnc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
TDP1 Q9NUW8 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.38
USP30 Q70CQ3 2/20 0.38
GLS O94925 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CNR2 P34972 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6920437 0.84 USP30 (0.43) CNR1PSEN1PSEN2APH1BNCSTN
SCHEMBL11902403 0.77 P2RX7 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901871 0.77 P2RX7 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902243 0.77 MEN1 (0.48) POLBALDH1A1SMN1; SMN2
SCHEMBL11902884 0.77 P2RX7 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901925 0.77 P2RX7 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1672519 0.77 KDM4E (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920278 0.75 ALDH1A1 (0.40) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL6919404 0.74 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902125 0.74 ADRB2 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
WO-2011048525-A1 NOVEL HETEROARYL IMIDAZOLES AND HETEROARYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-04-28 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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP CNR1 1004/4885TDP1 720/4885PSEN1 7/4885

“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.