SCHEMBL17893129

SCHEMBL17893129

COC(=O)[C@@]1(C)CC[C@@H](C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.47
GRM3 Q14832 2/20 0.47
GRM4 Q14833 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 2/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
LMNA P02545 1/20 0.47
GRM5 P41594 1/20 0.47
MTOR P42345 1/20 0.47
GRM1 Q13255 1/20 0.47
PLCB1 Q9NQ66 1/20 0.47
TSHR P16473 1/20 0.47
APLNR P35414 1/20 0.42
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.32
FFAR3 O14843 1/20 0.32

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
SCHEMBL15248834 1.00 GRM2 (0.47) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL17893128 1.00 GRM2 (0.47) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL17895908 0.89 GRM2 (0.41) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL17895945 0.89 GRM2 (0.41) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL17895946 0.89 GRM2 (0.41) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL595271 0.89 APLNR (0.40) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL18169491 0.89 APLNR (0.40) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL20000454 0.89 APLNR (0.40) GRM2GRM3GRM4CYP2C19CYP1A2
SCHEMBL23969223 0.85 HTT (0.37) ALDH1A1NPSR1CES2CES1POLB
SCHEMBL17893390 0.85 HTT (0.37) ALDH1A1NPSR1CES2CES1POLB

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 5 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
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
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

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-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 GRM2 4309/4885GRM3 4489/4885GRM4 4626/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 GRM2 4309/4885GRM3 4489/4885GRM4 4626/4885

“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.