SCHEMBL376282

SCHEMBL376282

C[C@@H]1C[C@H](OC2CCCCO2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PIK3CD O00329 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H2 P55055 1/20 0.32
CCR2 P41597 1/20 0.32
UCHL1 P09936 1/20 0.32
PDE4B Q07343 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
SCHEMBL9313102 0.89 GPR119 (0.37) CHRM2CHRM1CHRM3HSD17B10RECQL
SCHEMBL9313113 0.89 GPR119 (0.37) CHRM2CHRM1CHRM3HSD17B10RECQL
SCHEMBL9313107 0.89 GPR119 (0.37) CHRM2CHRM1CHRM3HSD17B10RECQL
SCHEMBL376524 0.85 ATM (0.33) CHRM2CHRM1CHRM3HSD17B10RECQL
SCHEMBL376323 0.84 NR1H2 (0.38) CHRM2CHRM1CHRM3ATMMEN1
SCHEMBL15273386 0.84 NR1H2 (0.38) CHRM2CHRM1CHRM3ATMMEN1
SCHEMBL13577617 0.84 NR1H2 (0.38) CHRM2CHRM1CHRM3ATMMEN1
SCHEMBL28495607 0.84 NR1H2 (0.38) CHRM2CHRM1CHRM3ATMMEN1
SCHEMBL30181011 0.84 NR1H2 (0.38) CHRM2CHRM1CHRM3ATMMEN1
SCHEMBL19942887 0.84 NR1H2 (0.38) CHRM2CHRM1CHRM3ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 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 (1 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-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB CHRM2 4475/4885CHRM1 4163/4885CHRM3 3959/4885

“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.