SCHEMBL25294341

SCHEMBL25294341

COc1ccc2c(ccn2CC(C)NC(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
APAF1 O14727 2/20 0.36
HTR2C P28335 1/20 0.35
PDE10A Q9Y233 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
EGFR P00533 1/20 0.34
NNMT P40261 1/20 0.33
CTSA P10619 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
APOBEC3A P31941 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25255161 1.00 NTRK1 (0.40) NTRK1MTNR1AMTNR1BAPAF1HTR2C
SCHEMBL24109756 0.85 NTRK1 (0.38) NTRK1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL25295071 0.83 NTRK1 (0.39) NTRK1MTNR1AMTNR1BHTR2CPDE10A
SCHEMBL24110212 0.83 NTRK1 (0.39) NTRK1MTNR1AMTNR1BHTR2CPDE10A
SCHEMBL25295385 0.79 HCRTR2 (0.42) MTNR1AMTNR1BHTR2CPOLBITGB3
SCHEMBL25295386 0.79 HCRTR2 (0.42) MTNR1AMTNR1BHTR2CPOLBITGB3
SCHEMBL24110207 0.78 HTR2C (0.57) HTR2C
SCHEMBL25296265 0.78 HTR2C (0.57) HTR2C
SCHEMBL25296034 0.76 HTR2C (0.39) NTRK1MTNR1AMTNR1BHTR2CPDE10A
SCHEMBL24110226 0.76 HTR2C (0.39) NTRK1MTNR1AMTNR1BHTR2CPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT NTRK1 523/4885MTNR1A 191/4885MTNR1B 187/4885

“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.