SCHEMBL11423964

SCHEMBL11423964

CC(N)C(O)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
SLC6A4 P31645 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
RECQL P46063 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
MTOR P42345 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL12101207 0.90 AOC3 (0.60) SLC6A4SLC6A2SLC6A3RECQLTDP1
SCHEMBL412315 0.90 AOC3 (0.60) SLC6A4SLC6A2SLC6A3RECQLTDP1
Hydrochloric Acid SCHEMBL440344 0.88 AOC3 (0.59) SLC6A4SLC6A2SLC6A3RECQLTDP1
SCHEMBL2608968 0.87 MEN1 (0.52) TAAR1SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL10931500 0.86 MEN1 (0.51) TAAR1SLC6A4SLC6A2SLC6A3KMT2A
SCHEMBL7898797 0.85 CYP3A4 (0.54) SLC6A2SLC6A3KMT2AMEN1AOC3
SCHEMBL4776996 0.82 TAAR1 (0.53) TAAR1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL12261670 0.82 TAAR1 (0.53) TAAR1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL16325098 0.82 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL29664492 0.82 KMT2A (0.54) TAAR1SLC6A4SLC6A2SLC6A3KMT2A

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-20130253061-A1 METHOD OF DROXIDOPA SYNTHESIS CHELSEA THERAPEUTICS, INC. (US) 2013-09-26 US disclosed
US-4226803-A Process for production of optically active bases DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-10-07 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-20130253061-A1 METHOD OF DROXIDOPA SYNTHESIS DDO, DAO, COMT TAAR1 2614/4885SLC6A4 135/4885SLC6A2 80/4885

“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.