SCHEMBL25623328

SCHEMBL25623328

CC(C)(C)OC(=O)NCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA9 Q16790 5/20 0.62
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
IDO1 P14902 1/20 0.57
BCHE P06276 1/20 0.55
CNR2 P34972 1/20 0.55
NPC1 O15118 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
PDK2 Q15119 1/20 0.54
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC1 Q13547 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51

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
SCHEMBL7892979 0.93 BCHE (0.64) CA12CA1CA2CA9MAPT
SCHEMBL30440340 0.92 CA12 (0.63) CA12CA1CA2CA9MAPT
SCHEMBL17675706 0.89 CA12 (0.67) CA12CA1CA2CA9MAPT
SCHEMBL3004957 0.88 FFAR1 (0.55) MAPTL3MBTL1IDO1BCHENPC1
SCHEMBL23884216 0.87 MAPT (0.69) CA12CA1CA2CA9MAPT
SCHEMBL16935714 0.87 MAPT (0.69) CA12CA1CA2CA9MAPT
SCHEMBL7043257 0.86 CTSS (0.57) MAPTIDO1NPC1MEN1KMT2A
SCHEMBL749687 0.86 HDAC1 (0.60) MAPTNPC1MEN1LMNAKMT2A
SCHEMBL596575 0.85 HDAC1 (0.67) CA12CA1BCHENPC1MEN1
SCHEMBL21859127 0.85 CHRM4 (0.55) MAPTL3MBTL1IDO1NPC1KDM4E

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-20250042855-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY AND GUT-BRAIN AXIS THE JOHNS HOPKINS UNIVERSITY 2025-02-06 US disclosed
WO-2023102477-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY THE JOHNS HOPKINS UNIVERSITY (US) 2023-06-08 WO disclosed
WO-2023102477-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY THE JOHNS HOPKINS UNIVERSITY (US) 2023-06-08 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-20250042855-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY AND GUT-BRAIN AXIS SLC6A4, HTR6, HTR5A CA12 4511/4885CA1 3449/4885CA2 2923/4885

“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.