SCHEMBL17320992

SCHEMBL17320992

CCn1nc(CO)cc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
POLB P06746 2/20 0.31
APAF1 O14727 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.30
GAA P10253 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CSF1R P07333 1/20 0.30
PTGS2 P35354 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL17320988 0.84 ADORA2A (0.34) CNR1CNR2AURKARPS6KB1ADORA2A
SCHEMBL15553669 0.81 AURKA (0.33) CNR1CNR2AURKARPS6KB1ADORA2A
SCHEMBL12935855 0.79 ADORA2A (0.36) CNR1CNR2AURKARPS6KB1ADORA2A
SCHEMBL15898809 0.79 MAPK1 (0.34) CNR1CNR2
SCHEMBL23399834 0.78 CNR1 (0.34) CNR1CNR2AURKARPS6KB1ADORA2A
SCHEMBL12740612 0.78 BCHE (0.39) CNR1CNR2POLBMAPTGAA
SCHEMBL12102938 0.78 POLB (0.42) AURKARPS6KB1ADORA2AADORA2BPOLB
SCHEMBL23559674 0.77 CNR1 (0.32) CNR1CNR2ADORA2AADORA2B
SCHEMBL2737300 0.76 GAA (0.46) AURKARPS6KB1ADORA2AADORA2BPOLB
SCHEMBL1292978 0.72 ADORA2A (0.42) ADORA2AADORA2BPOLBMAPTALDH1A1

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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CNR1 269/4885CNR2 590/4885AURKA 1210/4885

“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.