SCHEMBL7789794

SCHEMBL7789794

COC(=O)N(OC)[C@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
CTRB1 P17538 1/20 0.44
LAP3 P28838 1/20 0.43
ABCB1 P08183 1/20 0.41
SRR Q9GZT4 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ANPEP P15144 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2722201 0.81 CTRB1 (0.43) EPHX1CTRB1LAP3ABCB1SRR
SCHEMBL7269259 0.80 EPHX1 (0.47) EPHX1CTRB1LAP3ABCB1SRR
SCHEMBL9039372 0.80 NPC1 (0.47) CTRB1LAP3NPC1RAB9AMEN1
SCHEMBL7552899 0.79 SRR (0.46) EPHX1CTRB1LAP3SRRALPI
SCHEMBL7549517 0.78 ABCB1 (0.49) CTRB1ABCB1KMT2AMAPK1ALDH1A1
SCHEMBL1432589 0.76 ALDH1A1 (0.58) EPHX1SRRNPC1RAB9AMEN1
SCHEMBL3901603 0.76 ALDH1A1 (0.58) EPHX1SRRNPC1RAB9AMEN1
SCHEMBL20791653 0.76 ALDH1A1 (0.58) EPHX1SRRNPC1RAB9AMEN1
SCHEMBL17992751 0.75 EPHX1 (0.49) EPHX1SRRNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL6895837 0.74 ALDH1A1 (0.60) EPHX1SRRNPC1RAB9AMEN1

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-20010009916-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY ROMERO ARTHUR G (US) 2001-07-26 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-20010009916-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY CNR1, CNR2, OPRD1 EPHX1 3039/4885CTRB1 655/4885LAP3 4043/4885

“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.