SCHEMBL25907658

SCHEMBL25907658

NCCc1cc2c(cc1Br)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.52
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 6/20 0.39
HSP90B1 P14625 5/20 0.39
TRAP1 Q12931 5/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL28346620 0.89 TAAR1 (0.44) TAAR1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL30360689 0.80 CYP3A4 (0.48) TAAR1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL17980277 0.80 CYP3A4 (0.48) TAAR1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL1520657 0.77 CYP3A4 (0.44) TAAR1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL28904709 0.76 TAAR1 (0.52) TAAR1CYP3A4MEN1KMT2AHSP90AA1
SCHEMBL6239134 0.76 CYP1A2 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6239124 0.76 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6987564 0.76 CYP3A4 (0.41) TAAR1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL11182069 0.75 CYP3A4 (0.43) CYP3A4CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL281746 0.75 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19MEN1

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-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 US disclosed
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 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-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds SLC6A2, NAPRT, SLC6A3 TAAR1 882/4885CYP3A4 2094/4885CYP1A2 255/4885

“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.