SCHEMBL16700809

SCHEMBL16700809

O=C(O)C1CCC1COC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.36
GABRR2 P28476 1/20 0.36
SLC1A2 P43004 5/20 0.33
SLC1A1 P43005 4/20 0.33
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
GRM5 P41594 1/20 0.31
PMP22 Q01453 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
GRM4 Q14833 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL16699932 1.00 GABRR1 (0.36) GABRR1GABRR2SLC1A2SLC1A1CYP2C9
SCHEMBL16708918 1.00 GABRR1 (0.36) GABRR1GABRR2SLC1A2SLC1A1CYP2C9
SCHEMBL25940397 0.86 GABRR1 (0.47) GABRR1GABRR2FFAR4
SCHEMBL16708919 0.80 CHRM2 (0.36)
SCHEMBL16708917 0.80 CHRM2 (0.36)
SCHEMBL16711243 0.71 SLC1A3 (0.34) SLC1A2SLC1A1LMNASLC1A3
SCHEMBL8162531 0.70 TAAR1 (0.39) SLC1A2SLC1A1CYP2C19FFAR4SLC1A3
SCHEMBL21380357 0.70
SCHEMBL29517205 0.68
SCHEMBL13323586 0.67 GABRR1 (0.47) GABRR1GABRR2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068785-B1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-06-26 EP disclosed
EP-3068785-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
US-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-05 US disclosed
US-9273058-B2 Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 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 (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-20160122358-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 GABRR1 3758/4885GABRR2 4356/4885SLC1A2 4140/4885
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 GABRR1 3758/4885GABRR2 4356/4885SLC1A2 4140/4885

“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.