SCHEMBL8050669

SCHEMBL8050669

CC(C)CNCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KMT2A Q03164 3/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ABCC3 O15438 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ NR1H2 P55055 1/20 0.48

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
SCHEMBL18465773 0.87 MAPT (0.50) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL10832273 0.85 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL7695939 0.85 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL23491961 0.84 MTNR1A (0.54) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL22511314 0.84 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL16650924 0.84 PPID (0.56) ALDH1A1MAPK1L3MBTL1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8053510 0.83 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL7285559 0.82 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL19244038 0.82 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL2135402 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597400-B2 Processes for the preparation of (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]-pyrazin-8-yl)-n-(2,2,2-trifluoroethyl)pyrrolidine-1-carb oxamide and solid state forms thereof ABBVIE INC. (US) 2020-03-24 — — US disclosed
US-20190322677-A1 PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-a]PYRROLO[2,3-e]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF ABBVIE INC. 2019-10-24 — — US disclosed
EP-3063162-B1 GLUCOPYRANOSYL-SUBSTITUTED INDOLE-UREA DERIVATIVES AND THEIR USE AS SGLT INHIBITORS LILLY CO ELI (US) 2017-08-16 — — EP disclosed
US-6124329-A AN ENZYME INHIBITOR FOR THE TREATMENT OR PROPHYLAXIS OF TISSUE BREAKDOWN, FOR EXAMPLE RHEUMATOID ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL EPIDERMAL OR GASTRIC ULCERATION, AND TUMOR, MULTIPLE SCLEROSIS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2000-09-26 — — US disclosed
US-5962529-A OSTEOPOROSIS; RHEUMATIC DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-10-05 — — US disclosed
EP-0766664-A2 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-04-09 — — EP disclosed
WO-1995035275-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-12-28 — — 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 (2 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-10597400-B2 Processes for the preparation of (3S,4R)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]-pyrazin-8-yl)-n-(2,2,2-trifluoroethyl)pyrrolidine-1-carb oxamide and solid state forms thereof CNKSR1, JAK3, JAK2 ALDH1A1 1068/4885MAPK1 3081/4885L3MBTL1 4748/4885
US-20190322677-A1 PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-a]PYRROLO[2,3-e]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF CNKSR1, JAK2, TNF ALDH1A1 600/4885MAPK1 3184/4885L3MBTL1 4848/4885

“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.

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