SCHEMBL19369643

SCHEMBL19369643

CC(=O)[C@H](O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.60
TAAR1 Q96RJ0 3/20 0.58
SLC6A4 P31645 3/20 0.58
SLC6A2 P23975 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CYP2D6 P10635 2/20 0.58
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL19361722 0.86 TAAR1 (0.60) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL2457093 0.86 CYP3A4 (0.62) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL8953616 0.86 CYP3A4 (0.62) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL9126115 0.86 CYP3A4 (0.60) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL7516082 0.86 CYP3A4 (0.62) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL30052034 0.86 CYP3A4 (0.62) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL16356746 0.84 TAAR1 (0.62) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL11698405 0.84 CYP3A4 (0.56) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL11000389 0.83 CYP3A4 (0.57) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL27963133 0.81 CYP3A4 (0.56) CYP3A4TAAR1SLC6A4SLC6A2SLC6A3

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
EP-3225627-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-21 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-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF VIP, PREP, ACE CYP3A4 2295/4885TAAR1 2612/4885SLC6A4 2556/4885

“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.