SCHEMBL19103705

SCHEMBL19103705

CC(C)(C)CN1CC(F)(F)CC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
GRIK3 Q13003 1/20 0.43
GRIK5 Q16478 1/20 0.43
GRM2 Q14416 6/20 0.34
GRM6 O15303 1/20 0.33
GRM3 Q14832 3/20 0.32
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL18385732 0.86 GRIK1 (0.33) GRIK1GRIK2GRIK3GRIK5
SCHEMBL18531924 0.82 GRIK1 (0.45) GRIK1GRIK2GRIK3GRIK5GRM2
SCHEMBL19115629 0.82 GRIK1 (0.45) GRIK1GRIK2GRIK3GRIK5GRM2
SCHEMBL18392135 0.81 GRM2 (0.33) GRM2GRM6GRM3
SCHEMBL12191633 0.79 GRIK1 (0.43) GRIK1GRIK2GRIK3GRIK5GRM2
SCHEMBL8973389 0.79 GRM2 (0.57) GRM2GRM6GRM3
SCHEMBL18385734 0.77
SCHEMBL19103704 0.75 GRIK1 (0.34) GRIK1GRIK2GRIK3GRIK5GRM2
SCHEMBL19075530 0.72 RIPK1 (0.34) GRIK1GRIK2GRIK3GRIK5GRM2
SCHEMBL2209193 0.72 GRM2 (0.36) GRIK1GRIK2GRIK3GRIK5GRM2

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-9938301-B2 Dihydropyrimido fused ring derivative as HBV inhibitor QILU PHARMACEUTICAL CO., LTD. (CN) 2018-04-10 US disclosed
US-9938301-B2 Dihydropyrimido fused ring derivative as HBV inhibitor QILU PHARMACEUTICAL CO., LTD. (CN) 2018-04-10 US disclosed
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 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-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF GRIK1 3975/4885GRIK2 4250/4885GRIK3 4285/4885

“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.