SCHEMBL30294232

SCHEMBL30294232

C[C@H](NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)c(F)n1C)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
SLC10A1 Q14973 13/20 0.41
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FSCN1 Q16658 1/20 0.36
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21427803 1.00 GRM4 (0.41) GRM4SLC10A1NPC1POLBMAPT
SCHEMBL28902794 1.00 GRM4 (0.41) GRM4SLC10A1NPC1POLBMAPT
SCHEMBL21427882 0.88 SLC10A1 (0.38) GRM4SLC10A1NPC1POLBMAPT
SCHEMBL22906211 0.88 SLC10A1 (0.38) GRM4SLC10A1NPC1POLBMAPT
SCHEMBL20467193 0.86 SLC10A1 (0.42) GRM4SLC10A1NPC1POLBMAPT
SCHEMBL17838291 0.86 SLC10A1 (0.42) GRM4SLC10A1NPC1POLBMAPT
SCHEMBL17838294 0.85 SLC10A1 (0.44) GRM4SLC10A1ARALDH1A1L3MBTL1
SCHEMBL17838260 0.85 SLC10A1 (0.44) GRM4SLC10A1ARALDH1A1L3MBTL1
SCHEMBL17838303 0.85 GRM4 (0.40) GRM4SLC10A1NPC1POLBMAPT
SCHEMBL21427892 0.85 GRM4 (0.44) GRM4SLC10A1NPC1POLBMAPT

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
US-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-10-15 US disclosed
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-15 US disclosed
CN-115974753-A N-containing heterocyclic five-membered ring compound and application 正大天晴药业集团股份有限公司 2023-04-18 CN disclosed
CN-115974754-A N-containing heterocyclic five-membered ring compound and application 正大天晴药业集团股份有限公司 2023-04-18 CN disclosed
US-11597716-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-03-07 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 (3 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-11597716-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof COG5, HAVCR2, ZC3HAV1 GRM4 4715/4885SLC10A1 35/4885NPC1 95/4885
US-12116356-B2 N-heterocyclic five-membered ring-containing capsid protein assembly inhibitor, pharmaceutical composition thereof, and use thereof COG5, HAVCR2, ZC3HAV1 GRM4 4715/4885SLC10A1 35/4885NPC1 95/4885
US-20230183208-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF COG5, HAVCR2, ZC3HAV1 GRM4 4715/4885SLC10A1 35/4885NPC1 95/4885

“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.