SCHEMBL3382541

SCHEMBL3382541

O=C(Nc1ccccc1)c1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.42
BRD4 O60885 3/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 2/20 0.36
GRM5 P41594 1/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 4/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 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
SCHEMBL3384775 0.87 BRD4 (0.37) BRD4
SCHEMBL3384341 0.87 CHRNA7 (0.36) CYP2C9ALDH1A1KMT2AMEN1LMNA
SCHEMBL3382259 0.84 TRPA1 (0.40)
SCHEMBL3379218 0.83 GAA (0.40) ALDH1A1KMT2ALMNAKDM4E
SCHEMBL13005736 0.83 MAOB (0.34) ALDH1A1HTTKDM4E
SCHEMBL3385842 0.81 MEN1 (0.36) KMT2AMEN1
SCHEMBL3380168 0.80 SETD7 (0.30)
SCHEMBL3384638 0.79 KDM4E (0.32) CYP3A4ALDH1A1KMT2AMEN1HPGD
SCHEMBL3380170 0.78 MAPT (0.32) HTT
SCHEMBL13617540 0.78 MAPT (0.32) HTT

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
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP claimed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP 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
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 CREBBP 3250/4885BRD4 3150/4885CYP3A4 363/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 CREBBP 3250/4885BRD4 3150/4885CYP3A4 363/4885

“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.