SCHEMBL6967342

SCHEMBL6967342

O=C(c1c[nH]c2ccc(Br)cc12)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.50
NPSR1 Q6W5P4 1/20 0.48
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
GFER P55789 1/20 0.47
CTRB1 P17538 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
UTS2R Q9UKP6 1/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL707001 1.00 PREP (0.50) PREPNPSR1KLK7KLK5GFER
SCHEMBL774660 1.00 PREP (0.50) PREPNPSR1KLK7KLK5GFER
SCHEMBL8791518 0.92 GABRA1 (0.46) PREPNPSR1KLK7KLK5GFER
SCHEMBL30053426 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL30877842 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL8208549 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL30053580 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL8208547 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL29206541 0.90 NPSR1 (0.51) PREPNPSR1KLK7KLK5GFER
SCHEMBL30056 0.89 GABRA1 (0.56) PREPNPSR1KLK7KLK5CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 US disclosed
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 US disclosed
EP-0944595-B1 5-CYCLO INDOLE COMPOUNDS AS 5-HT1D RECEPTOR LIGANDS NPS ALLELIX CORP (CA) 2003-10-01 EP disclosed
US-5998438-A SEROTONIN RECEPTOR ANTAGONIST; HEADACHE THERAPY ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1999-12-07 US disclosed
US-5770742-A SEROTONIN RECEPTOR SELECTIVITY, MIGRAINES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-06-23 US disclosed
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 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-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT HTR6, TPH2, TPH1 PREP 1138/4885NPSR1 85/4885KLK7 1370/4885

“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.