SCHEMBL23243765

SCHEMBL23243765

COc1ccccc1C[C@@H](N)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP2D6 P10635 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR7 P34969 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
IDO1 P14902 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SCN4A P35499 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
BCHE P06276 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
AOC3 Q16853 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
SCHEMBL23243766 1.00 ATM (0.54) ATML3MBTL1MEN1KMT2ACYP2D6
SCHEMBL29445352 1.00 ATM (0.54) ATML3MBTL1MEN1KMT2ACYP2D6
SCHEMBL4748467 0.87 ABCB1 (0.47) ATML3MBTL1MEN1KMT2ASCN4A
Hydrochloric Acid SCHEMBL4750300 0.85 ABCB1 (0.46) ATML3MBTL1MEN1KMT2AIDO1
SCHEMBL12706123 0.84 IDO1 (0.52) ATML3MBTL1MEN1KMT2ACYP2D6
SCHEMBL14042175 0.83 ATM (0.42) ATML3MBTL1MEN1KMT2ACYP2D6
SCHEMBL4745939 0.82 HTR2A (0.65) MEN1KMT2ACYP2D6IDO1TAAR1
SCHEMBL9638844 0.81 IDO1 (0.57) ATML3MBTL1MEN1KMT2ACYP2D6
SCHEMBL30249073 0.79 KMT2A (0.64) KMT2AIDO1TAAR1
SCHEMBL14655700 0.79 KMT2A (0.64) KMT2AIDO1TAAR1

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-20210114977-A1 AN IMPROVED ASYMMETRIC SYNTHESIS OF alpha-BRANCHED CHIRAL AMINES Piramal Enterprises Limited (IN) 2021-04-22 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-20210114977-A1 AN IMPROVED ASYMMETRIC SYNTHESIS OF alpha-BRANCHED CHIRAL AMINES SLC6A12, BCAT2, BET1 ATM 1052/4885L3MBTL1 1601/4885MEN1 883/4885

“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.