SCHEMBL18366361

SCHEMBL18366361

CCOC(=O)c1nnn2ccc(C(F)(F)F)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
HPGD P15428 1/20 0.40
SPR P35270 1/20 0.40
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 1/20 0.40
APP P05067 1/20 0.40
ADORA1 P30542 1/20 0.40
XPO1 O14980 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL18372222 0.86 MEN1 (0.51) CACNA1BAPBA1NPSR1MAPTTP53
SCHEMBL18365989 0.83 TP53 (0.47) MAPTTP53ALOX12KMT2ASLC5A1
SCHEMBL18377560 0.82 TP53 (0.40) CACNA1BAPBA1NPSR1MAPTTP53
SCHEMBL18372519 0.81 CYP19A1 (0.47) MAPTTP53ALOX12SLC5A1SLC5A2
SCHEMBL20636720 0.81 MAPT (0.41) CACNA1BAPBA1NPSR1MAPTMEN1
SCHEMBL25259109 0.80 MAPT (0.39) CACNA1BAPBA1NPSR1MAPTTP53
SCHEMBL20636702 0.78 MAPT (0.39) CACNA1BAPBA1NPSR1MAPTMEN1
SCHEMBL18366192 0.78 MAPT (0.46) CACNA1BAPBA1NPSR1MAPTMEN1
SCHEMBL3087139 0.78 SMN1; SMN2 (0.50) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL19538707 0.78 ALOX5 (0.44) MAPTTP53MEN1KMT2AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 CACNA1B 1206/4885APBA1 675/4885NPSR1 1597/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 CACNA1B 1206/4885APBA1 675/4885NPSR1 1597/4885

“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.