SCHEMBL13395103

SCHEMBL13395103

CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1ccccc1N2[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
OPRM1 P35372 4/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
RECQL P46063 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TSHR P16473 1/20 0.36
NR2F2 P24468 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
SCHEMBL3177362 1.00 CYP2D6 (0.46) CYP2D6CYP2C19LMNASMN1; SMN2KMT2A
SCHEMBL5115336 0.89 PARP1 (0.39) CYP2D6CYP2C19LMNASMN1; SMN2KMT2A
SCHEMBL13395105 0.85 OPRM1 (0.38) SMN1; SMN2KMT2AMEN1HTTOPRM1
SCHEMBL3174274 0.85 OPRM1 (0.38) SMN1; SMN2KMT2AMEN1HTTOPRM1
SCHEMBL13395102 0.84 ALPL (0.48) OPRM1OPRK1KCNH2ALPLALDH1A1
SCHEMBL3177305 0.84 ALPL (0.48) OPRM1OPRK1KCNH2ALPLALDH1A1
SCHEMBL4509389 0.83 CYP2D6 (0.46) CYP2D6CYP2C19LMNASMN1; SMN2KMT2A
SCHEMBL13847183 0.83 SIRT1 (0.32) SMN1; SMN2ALPLALDH1A1SIRT1
SCHEMBL13395101 0.80 METAP2 (0.37) SMN1; SMN2ALDH1A1MAPTSIRT1
SCHEMBL13395118 0.80 METAP2 (0.37) SMN1; SMN2ALDH1A1MAPTSIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS COATS STEVEN J 2010-04-15 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-7652005-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-26 US disclosed
US-20090042871-A1 Tricyclic Delta-Opioid Modulators COATS STEVEN J 2009-02-12 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 US disclosed
US-7439239-B2 Tricyclic δ- opioid modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-10-21 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-20100093709-A1 TRICYCLIC DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRL1 CYP2D6 432/4885CYP2C19 372/4885LMNA 4287/4885
US-20090042871-A1 Tricyclic Delta-Opioid Modulators OPRD1, OPRK1, OPRL1 CYP2D6 359/4885CYP2C19 319/4885LMNA 4142/4885

“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.