SCHEMBL996526

SCHEMBL996526

N[C@H](CO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
TAAR1 Q96RJ0 1/20 0.41
ACP3 P15309 1/20 0.41
IDO1 P14902 3/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
PLAU P00749 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TACR1 P25103 2/20 0.39
HSD11B1 P28845 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
KIF11 P52732 2/20 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
SCHEMBL996527 1.00 GRM8 (0.44) GRM8GRM4CES2CES1TAAR1
SCHEMBL27160104 1.00 GRM8 (0.44) GRM8GRM4CES2CES1TAAR1
Hydrochloric Acid SCHEMBL27202101 0.98 GRM8 (0.43) GRM8GRM4CES2CES1TAAR1
Hydrochloric Acid SCHEMBL4726723 0.98 GRM8 (0.43) GRM8GRM4CES2CES1TAAR1
SCHEMBL17352715 0.84 GRM8 (0.42) GRM8GRM4CES2CES1TAAR1
SCHEMBL14786542 0.84 GRM8 (0.42) GRM8GRM4CES2CES1TAAR1
Hydrochloric Acid SCHEMBL23112722 0.82 GRM8 (0.41) GRM8GRM4CES2CES1TAAR1
SCHEMBL1444985 0.82 ANPEP (0.41) TAAR1HTR3A
SCHEMBL9903763 0.81 TAAR1 (0.47) GRM8GRM4CES2CES1TAAR1
SCHEMBL3171890 0.79 SLC6A4 (0.52) CES2CES1TAAR1IDO1TACR1

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264137-B2 3-aryl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2025-04-01 US disclosed
WO-2022253252-A1 HETEROCYCLIC COMPOUNDS USEFUL AS HPK1 INHIBITORS SILEXON BIOTECH CO., LTD. (CN) 2022-12-08 WO disclosed
US-20220204461-A1 3-ARYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2022-06-30 US disclosed
EP-4015514-A1 3-ARYL-4-AMIDO-BICYCLIC [4,5,0]HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, Inc. (US) 2022-06-22 EP disclosed
US-11274085-B2 3-aryl-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2022-03-15 US disclosed
CN-114057765-A 3-aryl-4-amido-bicyclo [4,5,0] hydroxamic acids as HDAC inhibitors 瓦洛健康股份有限公司 2022-02-18 CN disclosed
CN-107801396-B 3-aryl-4-amido-bicyclo [4,5,0] hydroxamic acids as HDAC inhibitors 福马治疗股份有限公司 2021-10-22 CN disclosed
EP-3292116-B1 3-ARYL-4-AMIDO-BICYCLIC [4,5,0]HYDROXAMIC ACIDS AS HDAC INHIBITORS FORMA THERAPEUTICS INC (US) 2021-10-20 EP disclosed
US-20210009540-A1 3-ARYL-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2021-01-14 US disclosed
US-20210009538-A1 3-ARYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2021-01-14 US disclosed
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-01-13 US disclosed
CN-101677569-A 2-cyanophenyl fused heterocyclic compounds, and compositions and uses thereof RENOVIS INC 2010-03-24 CN disclosed
EP-2139334-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-01-06 EP disclosed
EP-2136639-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2009-12-30 EP disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof EVOTEC AG (DE) 2008-11-06 US disclosed
WO-2008130481-A1 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-30 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 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 (7 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-11274085-B2 3-aryl-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 GRM8 2775/4885GRM4 868/4885CES2 1943/4885
US-20110009432-A1 PYRID-2YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF IL1B, C5, HTR2C GRM8 225/4885GRM4 132/4885CES2 1485/4885
US-20210009540-A1 3-ARYL-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 GRM8 2775/4885GRM4 868/4885CES2 1943/4885
US-12264137-B2 3-aryl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 GRM8 2167/4885GRM4 555/4885CES2 2147/4885
US-20220204461-A1 3-ARYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 GRM8 2167/4885GRM4 555/4885CES2 2147/4885
US-20210009538-A1 3-ARYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 GRM8 2167/4885GRM4 555/4885CES2 2147/4885
US-20080275037-A1 2-Cyanophenyl fused heterocyclic compounds, and compositions and uses thereof CNR2, CNR1, CBR1 GRM8 224/4885GRM4 112/4885CES2 210/4885

“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.