SCHEMBL30446010

SCHEMBL30446010

CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](CCc2ccc3c(c2)OCO3)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
BMP1 P13497 1/20 0.42
TP53 P04637 4/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 3/20 0.41
TACR1 P25103 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MGLL Q99685 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
DPP4 P27487 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40

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 0.86 L3MBTL1 (0.45) L3MBTL1TP53MAPTLMNATACR1
SCHEMBL6848654 0.84 L3MBTL1 (0.63) L3MBTL1TP53LMNATACR1RAB9A
SCHEMBL4424027 0.84 L3MBTL1 (0.63) L3MBTL1TP53LMNATACR1RAB9A
SCHEMBL4426369 0.84 L3MBTL1 (0.63) L3MBTL1TP53LMNATACR1RAB9A
Hydrochloric Acid SCHEMBL4434782 0.84 L3MBTL1 (0.62) L3MBTL1TP53LMNATACR1RAB9A
SCHEMBL25220100 0.80 L3MBTL1 (0.47) L3MBTL1TP53TACR1DPP4KDM4E
SCHEMBL951033 0.78 PDE4B (0.51) TACR1HDAC1HDAC2DPP4
SCHEMBL12602246 0.78 PDE4B (0.51) TACR1HDAC1HDAC2DPP4
SCHEMBL6694614 0.78 PDE4B (0.51) TACR1HDAC1HDAC2DPP4
SCHEMBL3065548 0.78 PDE4B (0.51) TACR1HDAC1HDAC2DPP4

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 2949/4885BMP1 947/4885TP53 4807/4885

“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.