SCHEMBL13617491

SCHEMBL13617491

NC(=S)c1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
OPRD1 P41143 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
PARP1 P09874 2/20 0.34
TRPV6 Q9H1D0 1/20 0.33
CHRM1 P11229 2/20 0.32
LTA4H P09960 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3382937 0.91 KCNH2 (0.47) OPRM1OPRK1KCNH2OPRD1SIRT1
SCHEMBL3379231 0.86 OPRM1 (0.39) OPRM1OPRK1KCNH2OPRD1SIRT1
SCHEMBL13617486 0.73 SMN1; SMN2 (0.36) MEN1ALDH1A1PKMKMT2A
SCHEMBL3380014 0.73 PARP2 (0.41) OPRK1KCNH2
SCHEMBL3384573 0.71 SMN1; SMN2 (0.38) MEN1ALDH1A1PKMKMT2A
SCHEMBL3380030 0.70 KCNH2 (0.40) OPRM1OPRK1KCNH2OPRD1LTA4H
SCHEMBL3385537 0.70 LTA4H (0.37) OPRM1OPRK1KCNH2OPRD1LTA4H
SCHEMBL3381575 0.69 KCNH2 (0.40) OPRM1OPRK1KCNH2SIRT1TRPV6
SCHEMBL3379080 0.67 TRPA1 (0.36) PARP1
SCHEMBL3384979 0.67 PKM (0.41) TRPV6MEN1ALDH1A1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 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-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885KCNH2 838/4885

“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.