SCHEMBL18014782

SCHEMBL18014782

CC(C)(C)Cc1cccnc1OCCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.49
▸ SSTR4 P31391 3/20 0.38
▸ MCHR1 Q99705 1/20 0.35
▸ KDM1A O60341 3/20 0.35
▸ MAOB P27338 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ OPRL1 P41146 4/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ SLC13A5 Q86YT5 1/20 0.32

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 0.87 RIPK1 (0.61) RIPK1SSTR4KDM1AMAOBALOX5AP
SCHEMBL16629598 0.85 SSTR4 (0.47) RIPK1SSTR4MCHR1KDM1AMAOB
SCHEMBL22391511 0.81 RIPK1 (0.55) RIPK1SSTR4MCHR1KDM1AMAOB
SCHEMBL22391509 0.81 RIPK1 (0.55) RIPK1SSTR4MCHR1KDM1A
SCHEMBL12776096 0.78 SLC13A5 (0.48) RIPK1SSTR4MEN1KMT2ASLC13A5
SCHEMBL19149245 0.77 NFE2L2 (0.41) SSTR4MCHR1KDM1AMAOBNFE2L2
SCHEMBL18014773 0.76 RIPK1 (0.49) RIPK1SSTR4ALOX5APFEN1
SCHEMBL12776098 0.76 SLC13A5 (0.47) RIPK1KDM1AMAOBNFE2L2MEN1
SCHEMBL23344679 0.74 SCN9A (0.41) RIPK1SSTR4
SCHEMBL19147813 0.73 SSTR4 (0.43) SSTR4MCHR1NFE2L2OPRL1

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 2370/4885SSTR4 4138/4885MCHR1 4800/4885

“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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