SCHEMBL10568289

SCHEMBL10568289

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.69
CA1 P00915 5/20 0.69
CA2 P00918 5/20 0.69
CA9 Q16790 5/20 0.69
PDK2 Q15119 1/20 0.53
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
NQO2 P16083 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BCHE P06276 1/20 0.47
CNR2 P34972 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
IDO1 P14902 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL7882884 0.92 CA12 (0.60) CA12CA1CA2CA9PDK2
SCHEMBL30440313 0.91 CA12 (0.70) CA12CA1CA2CA9SUCNR1
SCHEMBL24920675 0.89 CA12 (0.62) CA12CA1CA2CA9PDK2
SCHEMBL11302478 0.89 CA12 (0.57) CA12CA1CA2CA9PDK2
SCHEMBL21601467 0.88 CA12 (0.69) CA12CA1CA2CA9PDK2
SCHEMBL13726564 0.88 CA12 (0.69) CA12CA1CA2CA9PDK2
SCHEMBL10564860 0.87 CA12 (0.67) CA12CA1CA2CA9PDK2
SCHEMBL21601220 0.87 CA12 (0.67) CA12CA1CA2CA9PDK2
SCHEMBL5420417 0.87 CA12 (0.71) CA12CA1CA2CA9PDK2
SCHEMBL3585001 0.87 CA12 (0.67) CA12CA1CA2CA9PDK2

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 4 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
US-4818766-A ANTIARRHYTHMIA AGENTS, HYPOTENSIVE AGENTS, TREATMENT OF ANGINA CIBA-GEIGY CORPORATION (US) 1989-04-04 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-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.