SCHEMBL25110987

SCHEMBL25110987

CCCNCCCc1cn(CC(C)C)nn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.43
CYP19A1 P11511 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ADRB2 P07550 1/20 0.38
GGPS1 O95749 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL25111018 0.94 CYP19A1 (0.45) GBA1CYP19A1GGPS1HRH4HRH3
SCHEMBL25109752 0.94 CYP19A1 (0.45) GBA1CYP19A1GGPS1HRH4HRH3
SCHEMBL25109359 0.87 ALDH1A1 (0.40) GBA1CYP19A1L3MBTL1ADRB2HRH4
SCHEMBL25480884 0.86 CYP19A1 (0.41) GBA1CYP19A1L3MBTL1HRH4HRH3
SCHEMBL10081203 0.85 L3MBTL1 (0.51) GBA1CYP19A1L3MBTL1GGPS1HRH4
SCHEMBL3560934 0.83 CYP19A1 (0.56) GBA1CYP19A1L3MBTL1GGPS1HRH4
SCHEMBL22794477 0.83 HRH4 (0.43) GBA1CYP19A1ADRB2HRH4HRH3
SCHEMBL9926333 0.82 CYP19A1 (0.58) GBA1CYP19A1L3MBTL1GGPS1HRH4
SCHEMBL19478927 0.82 CYP19A1 (0.58) GBA1CYP19A1L3MBTL1GGPS1HRH4
SCHEMBL25110391 0.82 CYP19A1 (0.58) GBA1CYP19A1L3MBTL1GGPS1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-09 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-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 GBA1 2990/4885CYP19A1 4266/4885L3MBTL1 1593/4885

“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.