SCHEMBL9906363

SCHEMBL9906363

CCn1nc(C(C)(C)C)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRN P28799 6/20 0.39
SORT1 Q99523 6/20 0.39
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL9906364 0.86 CNR1 (0.43) GRNSORT1KDM4ECNR1CNR2
SCHEMBL17066944 0.84 LMNA (0.38) KDM4ECNR1CNR2GAA
SCHEMBL21232814 0.82 GRN (0.35) GRNSORT1KDM4ECNR1CNR2
SCHEMBL13114437 0.81 CNR1 (0.41) GRNSORT1KDM4ECNR1CNR2
SCHEMBL9908245 0.81 MAPK14 (0.39) GRNSORT1KDM4ECNR1CNR2
SCHEMBL12789841 0.81 GRN (0.36) GRNSORT1KDM4ECNR1CNR2
SCHEMBL12789845 0.80 GRN (0.37) GRNSORT1KDM4ECNR1CNR2
SCHEMBL12789850 0.80 GRN (0.35) GRNSORT1KDM4ECNR1CNR2
SCHEMBL12789852 0.80 GRN (0.35) GRNSORT1KDM4ECNR1CNR2
SCHEMBL13790795 0.79 LMNA (0.39) GRNSORT1KDM4ECNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 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-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 GRN 1532/4885SORT1 3054/4885KDM4E 1728/4885

“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.