SCHEMBL15072062

SCHEMBL15072062

CC(C)(C)c1cnc(-n2cccn2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
G6PD P11413 1/20 0.34
KMT2A Q03164 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GRM5 P41594 2/20 0.33
ACLY P53396 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
SCHEMBL13822152 0.80 MAPT (0.37) GRM4MAPTMAPK1HTTNPSR1
SCHEMBL29903403 0.79 MAPT (0.42) GRM4MAPTMAPK1HTTNPSR1
SCHEMBL21744582 0.77 LMNA (0.47) MAPTNPSR1KDM4EALDH1A1LMNA
SCHEMBL3377817 0.76 ADORA2A (0.41) GRM4MAPTMAPK1HTTNPSR1
SCHEMBL24921598 0.76 KDM4E (0.38) GRM4MAPTMAPK1HTTNPSR1
SCHEMBL12680215 0.76 MET (0.35) GRM4MAPTMAPK1HTTNPSR1
SCHEMBL10161002 0.76 MAPT (0.36) GRM4MAPTMAPK1HTTNPSR1
SCHEMBL15496649 0.74 KDM4E (0.42) MAPTMAPK1GRNSORT1KDM4E
SCHEMBL20912236 0.74 AGBL2 (0.41) MAPTHTTNPSR1L3MBTL1KDM4E
SCHEMBL18216845 0.74 KDM4E (0.40) MAPTMAPK1HTTNPSR1L3MBTL1

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-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-06-27 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 (2 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-20130165641-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 GRM4 4367/4885MAPT 3727/4885MAPK1 3653/4885
US-20140187780-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 GRM4 4367/4885MAPT 3727/4885MAPK1 3653/4885

“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.