SCHEMBL30133180

SCHEMBL30133180

CC1Cc2sc(NC(=O)[C@H](C)N)c(C(=O)c3c(F)cccc3F)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.46
KIF11 P52732 1/20 0.43
RORC P51449 1/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40
TP53 P04637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TNF P01375 2/20 0.38
NOD1 Q9Y239 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4D Q08499 2/20 0.38

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 1.00 PDE4B (0.46) PDE4BKIF11RORCMAPTMEN1
SCHEMBL27238469 0.88 PDE4B (0.46) PDE4BRORCMAPTMEN1KMT2A
SCHEMBL27238475 0.88 PDE4B (0.46) PDE4BRORCMAPTMEN1KMT2A
SCHEMBL30133160 0.88 PDE4B (0.44) PDE4BRORCMAPTMEN1KMT2A
SCHEMBL30133103 0.87 PDE4B (0.50) PDE4BRORCMAPTMEN1KMT2A
SCHEMBL30133109 0.87 PDE4B (0.50) PDE4BRORCMAPTMEN1KMT2A
SCHEMBL30133150 0.83 MEN1 (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30133184 0.83 PDE4B (0.42) PDE4BKIF11RORCMAPTMEN1
SCHEMBL30133151 0.83 PDE4B (0.42) PDE4BMAPTMEN1KMT2AKDM4E
SCHEMBL27238429 0.82 PDE4B (0.44) PDE4BMAPTMEN1KMT2AKDM4E

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 231/4885KIF11 1644/4885RORC 291/4885

“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.