SCHEMBL4510213

SCHEMBL4510213

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1C2C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 5/20 0.37
KCNH2 Q12809 5/20 0.37
OPRM1 P35372 4/20 0.37
OPRD1 P41143 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALPL P05186 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
LTA4H P09960 1/20 0.36
FFAR2 O15552 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4526870 0.92 ALPL (0.47) OPRK1KCNH2OPRM1OPRD1ALPL
SCHEMBL5194701 0.91 SMN1; SMN2 (0.39) SMN1; SMN2OPRK1KCNH2OPRM1OPRD1
SCHEMBL4508984 0.91 SMN1; SMN2 (0.39) SMN1; SMN2OPRK1KCNH2OPRM1OPRD1
SCHEMBL4505572 0.91 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL4509389 0.89 CYP2D6 (0.46) SMN1; SMN2OPRK1KCNH2OPRM1OPRD1
SCHEMBL4520048 0.89 PKM (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL4517685 0.88 ALDH1A1 (0.38) OPRM1OPRD1MEN1KMT2AALPL
SCHEMBL4520693 0.88 OPRM1 (0.40) OPRK1KCNH2OPRM1OPRD1LTA4H
SCHEMBL4508945 0.83 ALPL (0.44) OPRK1KCNH2OPRM1OPRD1ALPL
SCHEMBL5196090 0.83 SMN1; SMN2 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP claimed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US claimed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 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 (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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SMN1; SMN2 3375/4885OPRK1 2/4885KCNH2 618/4885

“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.