SCHEMBL8306404

SCHEMBL8306404

CC(C)c1cccc2c1NC(=O)CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.47
GRM5 P41594 1/20 0.42
MMP12 P39900 1/20 0.41
TRPV1 Q8NER1 2/20 0.38
PARP1 P09874 1/20 0.38
ADRB1 P08588 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL16746129 0.79 MMP12 (0.43) NR3C2GRM5MMP12TRPV1PARP1
SCHEMBL17344745 0.79 NR3C2 (0.52) NR3C2GRM5MMP12TRPV1PARP1
SCHEMBL3488166 0.78 NR3C2 (0.54) NR3C2GRM5MMP12PARP1SMN1; SMN2
SCHEMBL11003940 0.78 GRM5 (0.41) NR3C2GRM5MMP12PARP1ADRB1
SCHEMBL71434 0.76 GABRA1 (0.38) TRPV1LMNAFAAHCA1CA2
SCHEMBL2611032 0.75 AHR (0.56) GRM5TRPV1LMNAFAAHCA1
SCHEMBL2483112 0.75 NR3C2 (0.47) NR3C2GRM5MMP12PARP1SMN1; SMN2
SCHEMBL30609076 0.75 NR3C2 (0.47) NR3C2GRM5MMP12TRPV1PARP1
SCHEMBL1137855 0.75 GRM5 (0.48) NR3C2GRM5MMP12PARP1ADRB1
SCHEMBL3489518 0.75 NR3C2 (0.47) NR3C2GRM5MMP12PARP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-09-08 US disclosed
EP-0548254-B1 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN INC (US) 1999-06-02 EP disclosed
EP-0548254-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1993-06-30 EP disclosed
WO-1992004345-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1992-03-19 WO disclosed
US-5091528-A Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors ALLERGAN, INC. (US) 1992-02-25 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 (5 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 NR3C2 286/4885GRM5 58/4885MMP12 2521/4885
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 NR3C2 155/4885GRM5 3770/4885MMP12 3775/4885
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 NR3C2 1494/4885GRM5 3423/4885MMP12 939/4885
US-20160257641-A1 NOVEL ALKYLENE DERIVATIVES ACSS2, ACACB, ADCY2 NR3C2 267/4885GRM5 3101/4885MMP12 3856/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP NR3C2 1892/4885GRM5 153/4885MMP12 2522/4885

“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.