SCHEMBL19096963

SCHEMBL19096963

C[C@@H]1CN(c2ccc(C(N)=O)c(F)c2)C[C@H](C)N1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
CPS1 P31327 10/20 0.41
ACVR1 Q04771 1/20 0.39
WDR5 P61964 5/20 0.39
RPS6KB1 P23443 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL19096981 1.00 DGAT1 (0.41) DGAT1CPS1ACVR1WDR5RPS6KB1
SCHEMBL20954152 0.85 CPS1 (0.44) CPS1CHRM2
SCHEMBL19096982 0.85 CPS1 (0.44) CPS1CHRM2
SCHEMBL17375398 0.84 CHRM2 (0.43) CPS1WDR5RPS6KB1CHRM2
SCHEMBL19096975 0.84 CHRM2 (0.43) CPS1WDR5RPS6KB1CHRM2
SCHEMBL22048387 0.83 NR1H2 (0.46) DGAT1CPS1RPS6KB1
SCHEMBL19097001 0.82 SIK1 (0.42) CPS1ACVR1PARP15PARP10CHRM2
SCHEMBL19096993 0.82 SIK1 (0.42) CPS1ACVR1PARP15PARP10CHRM2
SCHEMBL17385246 0.81 HTR2C (0.51) CHRM2
SCHEMBL20976839 0.81 HTR2C (0.51) CHRM2

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
EP-3160967-B1 N-(IMIDAZO[1,2-A]PYRAZIN-6-YL)-BENZAMIDE COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN LA ROCHE (CH) 2019-05-08 EP disclosed
US-9975900-B2 Substituted imidazo[1,2-α]pyrazines for treating spinal muscular atrophy HOFFMANN-LA ROCHE INC. (US) 2018-05-22 US disclosed
US-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. (US) 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-20170197969-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, PYGM, GYS1 DGAT1 4812/4885CPS1 2951/4885ACVR1 1050/4885

“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.