SCHEMBL19688670

SCHEMBL19688670

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
ROCK2 O75116 1/20 0.46
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
SCN9A Q15858 1/20 0.43
KDM2B Q8NHM5 2/20 0.42
TGM2 P21980 1/20 0.42
BACE1 P56817 1/20 0.41
GRIN2B Q13224 2/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
FAP Q12884 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15743806 0.86 CNR1 (0.51) CNR2CNR1GAAALDH1A1MAPK1
SCHEMBL14664075 0.85 CNR1 (0.48) CNR2CNR1GAAALDH1A1MAPK1
SCHEMBL2475715 0.82 CNR2 (0.55) CNR2CNR1GAAALDH1A1MAPK1
SCHEMBL2477407 0.82 CNR2 (0.55) CNR2CNR1GAAALDH1A1MAPK1
SCHEMBL13570410 0.81 CNR2 (0.53) CNR2CNR1GAAALDH1A1MAPK1
SCHEMBL14828682 0.81 CNR1 (0.48) CNR2CNR1GAAALDH1A1MAPK1
SCHEMBL1256856 0.79 KDM4E (0.46) ALDH1A1RAB9AKDM2BBACE1NTRK3
SCHEMBL1256854 0.79 KDM4E (0.46) ALDH1A1RAB9AKDM2BBACE1NTRK3
Trifluoroacetic Acid SCHEMBL30345244 0.79 CNR1 (0.49) CNR2CNR1ALDH1A1MAPK1RAB9A
SCHEMBL19688671 0.78 CYP3A4 (0.49) CNR2CNR1GAAALDH1A1MAPK1

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
EP-3464317-B1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIV LAVAL (CA) 2023-04-26 EP disclosed
US-11174282-B2 Aminosteroid derivatives and process for producing same UNIVERSITé LAVAL (CA) 2021-11-16 US disclosed
WO-2017205964-A1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIVERSITé LAVAL (CA) 2017-12-07 WO 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-11174282-B2 Aminosteroid derivatives and process for producing same HSD17B11, HSD17B7, CYP19A1 CNR2 3487/4885CNR1 3334/4885ROCK2 4290/4885

“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.