SCHEMBL5090965

SCHEMBL5090965

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2C1CCN(Cc2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
PARP1 P09874 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD4 P21917 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
CHRM4 P08173 1/20 0.36
ACKR3 P25106 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
SCHEMBL5096903 0.92 KDM4E (0.40) KDM4EALDH1A1PARP1L3MBTL1WNT1
SCHEMBL4520693 0.87 OPRM1 (0.40)
SCHEMBL5097413 0.84 MCHR1 (0.40) ALDH1A1MAPTSRPK1ACKR3
SCHEMBL5094817 0.83 MEN1 (0.37) ALDH1A1PARP1MAPT
SCHEMBL5115216 0.83 L3MBTL1 (0.41) KDM4EALDH1A1PARP1L3MBTL1WNT1
SCHEMBL5096927 0.83 SIGMAR1 (0.44) ALDH1A1GSK3B
SCHEMBL5094834 0.82 KDM4E (0.40) KDM4EALDH1A1PARP1L3MBTL1WNT1
SCHEMBL6072469 0.82 ATR (0.36) KDM4EALDH1A1DYRK1ACYP2D6CYP2C19
SCHEMBL6072472 0.81 DHODH (0.36) ALDH1A1PARP1CYP2C19SMN1; SMN2MAPT
SCHEMBL5097000 0.80 L3MBTL1 (0.41) KDM4EALDH1A1PARP1L3MBTL1WNT1

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 12 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
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN 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
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 US disclosed
CN-101128458-A Tricyclic delta opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN 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 KDM4E 2174/4885ALDH1A1 1302/4885PARP1 4298/4885
US-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 KDM4E 2174/4885ALDH1A1 1302/4885PARP1 4298/4885

“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.