SCHEMBL25220100

SCHEMBL25220100

CN1CC[C@@H](c2ccc(F)cc2)[C@H](CCc2ccc3c(c2)OCO3)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SLC6A3 Q01959 2/20 0.45
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
CACNA1F O60840 1/20 0.43
MPO P05164 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL25220163 0.84 L3MBTL1 (0.45) L3MBTL1SLC6A3CYP3A4ALDH1A1TP53
SCHEMBL30446010 0.80 L3MBTL1 (0.44) L3MBTL1TP53TACR1RAB9AKDM4E
SCHEMBL30589885 0.80 L3MBTL1 (0.70) L3MBTL1SLC6A3CYP3A4ALDH1A1TP53
SCHEMBL19236199 0.80 L3MBTL1 (0.70) L3MBTL1SLC6A3CYP3A4ALDH1A1TP53
SCHEMBL7957720 0.80 L3MBTL1 (0.70) L3MBTL1SLC6A3CYP3A4ALDH1A1TP53
SCHEMBL9526894 0.80 L3MBTL1 (0.70) L3MBTL1SLC6A3CYP3A4ALDH1A1TP53
Iodide SCHEMBL25220873 0.79 CYP3A4 (0.43) L3MBTL1SLC6A3CYP3A4ALDH1A1TP53
SCHEMBL10076388 0.78 CYP3A4 (0.66) SLC6A3CYP3A4ALDH1A1TP53CYP1A2
SCHEMBL13242436 0.78 CYP3A4 (0.66) SLC6A3CYP3A4ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL25272655 0.77 CYP3A4 (0.66) SLC6A3CYP3A4ALDH1A1TP53CYP1A2

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-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

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 L3MBTL1 2949/4885SLC6A3 84/4885CYP3A4 533/4885

“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.