SCHEMBL31758554

SCHEMBL31758554

CC(C)(C)OC(=O)N1CCC2(CC1)c1cc(Br)ccc1CC2O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
ESR2 Q92731 1/20 0.41
USP30 Q70CQ3 2/20 0.41
FPR3 P25089 2/20 0.41
FPR2 P25090 2/20 0.41
NR1H2 P55055 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM1A O60341 2/20 0.40
RORC P51449 3/20 0.40
HDAC1 Q13547 1/20 0.39
BACE1 P56817 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALK Q9UM73 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
SCHEMBL31758596 0.92 GPR119 (0.41) GPR119ESR2USP30FPR3FPR2
SCHEMBL31415666 0.86 MEN1 (0.46) ESR2NR1H2NPC1RAB9AKDM1A
SCHEMBL6959970 0.84 KDM1A (0.52) GPR119KDM1AHDAC1ALOX15TSHR
SCHEMBL29993455 0.84 KDM1A (0.52) GPR119KDM1AHDAC1ALOX15TSHR
SCHEMBL6970469 0.84 KDM1A (0.52) GPR119KDM1AHDAC1ALOX15TSHR
SCHEMBL6968834 0.84 KDM1A (0.52) GPR119KDM1AHDAC1ALOX15TSHR
SCHEMBL381500 0.84 KDM1A (0.52) GPR119KDM1AHDAC1ALOX15TSHR
SCHEMBL17586453 0.81 ESR2 (0.45) GPR119ESR2USP30FPR3FPR2
SCHEMBL22471660 0.79 ALK (0.41) GPR119USP30FPR3FPR2KDM1A
SCHEMBL15836945 0.78 PDK2 (0.46) GPR119ESR2USP30FPR3FPR2

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-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2026-01-08 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-20260008760-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF DPP9, DPP7, DPP4 GPR119 127/4885ESR2 3586/4885USP30 2001/4885

“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.