SCHEMBL18014773

SCHEMBL18014773

CC(C)(C)Cc1cccnc1OCC1CCC(F)(F)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.49
▸ P2RX7 Q99572 2/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ LRRK2 Q5S007 5/20 0.36
▸ CNR2 P34972 5/20 0.35
▸ SSTR4 P31391 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL12776101 0.88 RIPK1 (0.61) RIPK1CNR2SSTR4FFAR4ALOX5AP
SCHEMBL16629597 0.86 P2RX7 (0.43) P2RX7KDM5AKDM4CKDM5BLRRK2
SCHEMBL22391509 0.85 RIPK1 (0.55) RIPK1CNR2SSTR4FFAR4CNR1
SCHEMBL22391511 0.85 RIPK1 (0.55) RIPK1CNR2SSTR4FFAR4CNR1
SCHEMBL22390621 0.81 RIPK1 (0.76) RIPK1P2RX7KDM5AKDM4CKDM5B
SCHEMBL18014782 0.76 RIPK1 (0.49) RIPK1SSTR4ALOX5APFEN1
SCHEMBL12776096 0.72 SLC13A5 (0.48) RIPK1SSTR4
SCHEMBL23344679 0.71 SCN9A (0.41) RIPK1SSTR4
SCHEMBL22957858 0.70 KDM1A (0.41) RIPK1CNR2SSTR4FFAR4
SCHEMBL22957870 0.70 KDM1A (0.41) RIPK1CNR2SSTR4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 — — 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 (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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 RIPK1 2370/4885P2RX7 855/4885KDM5A 3613/4885

“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.

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