SCHEMBL3964533

SCHEMBL3964533

O=CN[C@@H](CO)Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.79
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TAAR1 Q96RJ0 1/20 0.58
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 1/20 0.53
SLC6A4 P31645 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
RPS6KA5 O75582 1/20 0.44
RPS6KA4 O75676 1/20 0.44
PRKACA P17612 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
PRKX P51817 1/20 0.44
PRKG1 Q13976 1/20 0.44
PKN2 Q16513 1/20 0.44

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
SCHEMBL10433409 1.00 EPHX1 (0.79) EPHX1KMT2AMEN1TAAR1MAPK1
SCHEMBL2703617 1.00 EPHX1 (0.79) EPHX1KMT2AMEN1TAAR1MAPK1
SCHEMBL11043354 0.92 EPHX1 (0.67) EPHX1KMT2AMEN1TAAR1MAPK1
SCHEMBL29257172 0.88 EPHX1 (1.00) EPHX1KMT2AMEN1TAAR1MAPK1
SCHEMBL12681300 0.81 EPHX1 (0.79) EPHX1KMT2AMEN1TAAR1SLC6A4
SCHEMBL7509446 0.81 EPHX1 (0.79) EPHX1KMT2AMEN1TAAR1MAPK1
SCHEMBL29800395 0.81 EPHX1 (0.71) EPHX1KMT2AMEN1TAAR1SLC6A4
SCHEMBL7348151 0.80 MAPK1 (0.58) EPHX1KMT2AMEN1MAPK1CYP3A4
SCHEMBL7345520 0.80 MAPK1 (0.58) EPHX1KMT2AMEN1MAPK1CYP3A4
SCHEMBL6316970 0.79 EPHX1 (0.73) EPHX1KMT2AMEN1TAAR1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US claimed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 US claimed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 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 (2 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 EPHX1 1853/4885KMT2A 2219/4885MEN1 4880/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 EPHX1 2079/4885KMT2A 2064/4885MEN1 4869/4885

“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.