SCHEMBL17893308

SCHEMBL17893308

COC(=O)C1(C)CCC(C)(C(=O)OC)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17893499 1.00 FFAR3 (0.43) FFAR3NPSR1LMNAMEN1KMT2A
SCHEMBL25616531 0.92 FFAR3 (0.50) FFAR3NPSR1LMNAMEN1KMT2A
SCHEMBL283125 0.92
SCHEMBL8175853 0.92 FFAR3 (0.50) FFAR3NPSR1LMNAMEN1KMT2A
SCHEMBL25616533 0.92 FFAR3 (0.50) FFAR3NPSR1LMNAMEN1KMT2A
SCHEMBL17893298 0.91 FFAR3 (0.54) FFAR3NPSR1LMNAMEN1KMT2A
SCHEMBL17893326 0.90 NPSR1 (0.43) FFAR3NPSR1LMNAMEN1KMT2A
SCHEMBL6736653 0.89 MEN1 (0.41) FFAR3NPSR1LMNAMEN1KMT2A
SCHEMBL1928676 0.84
SCHEMBL17958 0.84 NPSR1 (0.52) FFAR3NPSR1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
EP-3240546-B1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME (US) 2020-10-21 EP disclosed
US-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-19 US disclosed
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-02 US disclosed
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-30 US disclosed
EP-3240546-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
EP-3240572-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109223-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016109222-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 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 (4 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-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 FFAR3 2896/4885NPSR1 4371/4885LMNA 4305/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 FFAR3 2896/4885NPSR1 4371/4885LMNA 4305/4885
US-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors BTK, SYK, ABL1 FFAR3 1860/4885NPSR1 4450/4885LMNA 4354/4885
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 FFAR3 1860/4885NPSR1 4450/4885LMNA 4354/4885

“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.