SCHEMBL17778147

SCHEMBL17778147

CCN1CC[C@H](F)[C@@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
GLB1 P16278 1/20 0.35
GUSB P08236 2/20 0.33
GBA1 P04062 2/20 0.32
HSD11B1 P28845 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL27067618 1.00 SMN1; SMN2 (0.38) SMN1; SMN2GLB1GUSBGBA1HSD11B1
SCHEMBL23707055 1.00 SMN1; SMN2 (0.38) SMN1; SMN2GLB1GUSBGBA1HSD11B1
SCHEMBL21146446 0.88 CYP3A4 (0.38) SMN1; SMN2GLB1GUSBHSD11B1CYP3A4
SCHEMBL1893625 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GLB1GBA1HSD11B1
SCHEMBL23425750 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GLB1GBA1HSD11B1
SCHEMBL1893624 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GLB1GBA1HSD11B1
SCHEMBL1893627 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GLB1GBA1HSD11B1
SCHEMBL15317974 0.80
SCHEMBL23475172 0.80 SMN1; SMN2 (0.42) SMN1; SMN2GLB1GUSBGBA1HSD11B1
SCHEMBL9090010 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
WO-2016081679-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 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-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 SMN1; SMN2 2709/4885GLB1 3733/4885GUSB 4715/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 SMN1; SMN2 2011/4885GLB1 4379/4885GUSB 4830/4885

“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.