SCHEMBL23898665

SCHEMBL23898665

Fc1cc(F)cc(-n2c(C3CCOCC3)cc3cc(OCc4ccccc4)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SRD5A2 P31213 1/20 0.40
ALOX5 P09917 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
SCN9A Q15858 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
PARP14 Q460N5 1/20 0.37
RORC P51449 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
CYP2D6 P10635 2/20 0.37
FFAR1 O14842 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL23886885 0.92 SCN9A (0.47) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL30337752 0.92 SCN9A (0.47) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL23898506 0.91 NPC1 (0.46) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL23898368 0.88 KMT2A (0.41) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL30176364 0.86 MEN1 (0.43) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL23898666 0.86 MEN1 (0.39) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL23886827 0.86 MEN1 (0.43) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL23898552 0.81 NPC1 (0.42) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL23898550 0.78 NPC1 (0.47) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL23883710 0.74 SCN9A (0.40) CNR1CNR2SCN9ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 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-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 MEN1 1904/4885NPC1 369/4885RAB9A 3520/4885

“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.