SCHEMBL3961897

SCHEMBL3961897

Cc1cccc(C)c1OCC(C)NC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.54
CYP2D6 P10635 3/20 0.54
LMNA P02545 2/20 0.54
SCN1A P35498 2/20 0.54
SCN5A Q14524 2/20 0.54
SCN9A Q15858 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
NFKB1 P19838 2/20 0.54
KCNH2 Q12809 2/20 0.54
TSHR P16473 2/20 0.54
CYP2C9 P11712 1/20 0.54
KCNK3 O14649 1/20 0.54
CACNA1F O60840 1/20 0.54
KCNK2 O95069 1/20 0.54
GBA1 P04062 1/20 0.54
MAOA P21397 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL7698441 0.79 SCN4A (0.61) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL13884448 0.79 SCN4A (0.61) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL7701174 0.79 SCN4A (0.61) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL7698342 0.79 SCN4A (0.61) SCN4ACYP2D6LMNASCN1ASCN5A
Hydrochloric Acid SCHEMBL11657872 0.77 LMNA (0.62) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL21834932 0.77 SCN4A (0.54) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL3961895 0.77 SCN4A (0.54) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL6809832 0.76 MAOA (0.61) CYP2D6LMNACYP1A2KCNH2MAOA
SCHEMBL8816903 0.76 SCN4A (0.58) SCN4ACYP2D6LMNASCN1ASCN5A
SCHEMBL6809826 0.76 MAOA (0.61) CYP2D6LMNACYP1A2KCNH2MAOA

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-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US claimed
EP-1910353-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-16 EP claimed
WO-2007030089-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 WO claimed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 US claimed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 US disclosed
WO-1997027169-A1 (2-DIMETHYLPHENOXY-1-METHYLETHYL) ETHYLAMINE F.HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 SCN4A 471/4885CYP2D6 683/4885LMNA 3650/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SCN4A 385/4885CYP2D6 359/4885LMNA 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.