SCHEMBL5103249

SCHEMBL5103249

O=C(c1ccc2c(c1)Oc1ccccc1C2C1CCN(Cc2ccoc2)CC1)N1CCC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PDK2 Q15119 1/20 0.39
CCR1 P32246 1/20 0.38
ROCK2 O75116 2/20 0.37
LOXL2 Q9Y4K0 3/20 0.36
LOX P28300 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL5103251 1.00 KMT2A (0.42) KMT2AMEN1RAB9ANPC1HTR2A
SCHEMBL13998576 0.88 RAB9A (0.41) KMT2AMEN1RAB9ANPC1PDK2
SCHEMBL4509023 0.88 RAB9A (0.40) KMT2ARAB9ANPC1PDK2ROCK2
SCHEMBL5097505 0.84 NPC1 (0.51) KMT2AMEN1RAB9ANPC1HTR2A
SCHEMBL5097179 0.84 NPC1 (0.51) KMT2AMEN1RAB9ANPC1HTR2A
SCHEMBL5097113 0.83 RAB9A (0.41) KMT2AMEN1RAB9ANPC1PDK2
SCHEMBL5097109 0.83 RAB9A (0.41) KMT2AMEN1RAB9ANPC1PDK2
SCHEMBL5116385 0.82 RAB9A (0.41) KMT2AMEN1RAB9ANPC1HTR2A
SCHEMBL5116381 0.82 RAB9A (0.41) KMT2AMEN1RAB9ANPC1HTR2A
SCHEMBL5096995 0.81 OPRD1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US claimed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP claimed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 US claimed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
EP-1836196-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
WO-2006069275-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135522-A1 Tricyclic delta-opioid modulators CARSON JOHN R 2006-06-22 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 (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-20060135522-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 KMT2A 2064/4885MEN1 4869/4885RAB9A 2741/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 KMT2A 2064/4885MEN1 4869/4885RAB9A 2741/4885

“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.