SCHEMBL6920437

SCHEMBL6920437

COc1nc(C(=O)NCC2CCCC2)ccc1-n1cnc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
CNR1 P21554 1/20 0.43
PSEN1 P49768 11/20 0.43
PSEN2 P49810 11/20 0.43
APH1B Q8WW43 11/20 0.43
NCSTN Q92542 11/20 0.43
APH1A Q96BI3 11/20 0.43
PSENEN Q9NZ42 11/20 0.43
CYP2C19 P33261 4/20 0.41
CYP3A4 P08684 3/20 0.41
KCNH2 Q12809 3/20 0.41
CYP2C9 P11712 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL6920547 0.84 CNR1 (0.48) USP30CNR1PSEN1PSEN2APH1B
SCHEMBL155825 0.82 P2RX7 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL194977 0.81 P2RX7 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL761094 0.80 PSEN1 (0.65) USP30PSEN1PSEN2APH1BNCSTN
SCHEMBL9224077 0.78 MEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6920222 0.78 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6854867 0.78 NPC1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11902225 0.78 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6919571 0.78 MEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11901742 0.78 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 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 USP30 1414/4885CNR1 1004/4885PSEN1 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.