SCHEMBL7597673

SCHEMBL7597673

CC(C)(C)OC(=O)Nc1ccc(N2CCC(Br)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.56
PRKDC P78527 1/20 0.43
LIPE Q05469 4/20 0.43
FPR2 P25090 4/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
MMP1 P03956 1/20 0.42
FPR1 P21462 1/20 0.41
PSMB8 P28062 1/20 0.40
NAMPT P43490 1/20 0.40
DRD2 P14416 1/20 0.40
CYP17A1 P05093 1/20 0.39
CHRM1 P11229 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
BCL2 P10415 1/20 0.39
BECN1 Q14457 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
SCHEMBL8569448 0.80 DRD2 (0.45) PRKDCFPR2PTPN2PTPN1PTPN6
Bromide SCHEMBL6178897 0.77 MMP1 (0.40) ROCK2PRKDCLIPEMMP1NAMPT
SCHEMBL14525364 0.75 SMN1; SMN2 (0.53) FPR2FPR1DRD2
SCHEMBL23142748 0.74 MAPKAPK2 (0.39) PRKDCLIPEPTPN2PTPN1PTPN6
SCHEMBL13055402 0.73 CYP17A1 (0.59) LIPEPSMB8NAMPTDRD2CYP17A1
SCHEMBL23142816 0.73 CYP17A1 (0.42) PRKDCLIPEPSMB8NAMPTDRD2
SCHEMBL16493351 0.73 FPR2 (0.56) ROCK2LIPEFPR2MMP1FPR1
SCHEMBL30817405 0.73 MAPT (0.50) PRKDCLIPEPSMB8NAMPTDRD2
SCHEMBL3573442 0.72 GPR119 (0.50) PRKDCPTPN2PTPN1PTPN6NAMPT
SCHEMBL29986622 0.72 PRKDC (0.49) PRKDCLIPEPSMB8NAMPTDRD2

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-20020169186-A1 TETRAHYDROQUINOLINE DERIVATIVES AS GLYCINE ANTAGONISTS DI FABIO ROMANO (IT) 2002-11-14 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-20020169186-A1 TETRAHYDROQUINOLINE DERIVATIVES AS GLYCINE ANTAGONISTS GLRA1, GRM1, GNMT ROCK2 3403/4885PRKDC 4836/4885LIPE 3550/4885

“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.