SCHEMBL30133160

SCHEMBL30133160

C[C@H](N)C(=O)Nc1sc2c(c1C(=O)c1c(F)cccc1F)CC(C(F)F)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.44
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RORC P51449 2/20 0.35
TP53 P04637 4/20 0.35
MAPT P10636 7/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MCL1 Q07820 1/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL30133147 0.88 PDE4B (0.46) PDE4BNPC1RAB9ARORCTP53
SCHEMBL30133180 0.88 PDE4B (0.46) PDE4BNPC1RAB9ARORCTP53
SCHEMBL27238469 0.86 PDE4B (0.46) PDE4BNPC1RAB9ARORCTP53
SCHEMBL27238475 0.86 PDE4B (0.46) PDE4BNPC1RAB9ARORCTP53
SCHEMBL30133109 0.85 PDE4B (0.50) PDE4BNPC1RAB9ARORCTP53
SCHEMBL30133103 0.85 PDE4B (0.50) PDE4BNPC1RAB9ARORCTP53
SCHEMBL30133142 0.83 PDE4B (0.41) PDE4BRORCTP53MAPTKDM4E
SCHEMBL30133150 0.81 MEN1 (0.54) NPC1RAB9AMAPTKDM4EGAA
SCHEMBL30133151 0.81 PDE4B (0.42) PDE4BTP53MAPTKDM4EGAA
SCHEMBL27238425 0.81 PDE4B (0.44) PDE4BNPC1RAB9ATP53MAPT

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-20240190889-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2024-06-13 US disclosed
EP-4380940-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-06-12 EP disclosed
WO-2023012130-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-02-09 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 (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-20240190889-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS GABRA1, GABRA5, GABRB1 PDE4B 231/4885NPC1 1555/4885RAB9A 1104/4885

“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.