SCHEMBL3384580

SCHEMBL3384580

NC(=NO)c1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CYP2D6 P10635 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 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
SCHEMBL13617486 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CYP2C19GAAPKM
SCHEMBL3384573 0.84 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CYP2C19GAAPKM
SCHEMBL3384979 0.82 PKM (0.41) SMN1; SMN2ALDH1A1CYP2C19GAAPKM
SCHEMBL3385630 0.78 MAPT (0.30) SMN1; SMN2
SCHEMBL3382067 0.78 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1CYP2C19GAAPKM
SCHEMBL13617490 0.78 MAPT (0.30) SMN1; SMN2
SCHEMBL13617540 0.76 MAPT (0.32) SMN1; SMN2
SCHEMBL3380170 0.76 MAPT (0.32) SMN1; SMN2
SCHEMBL13617534 0.76 MAPT (0.32) SMN1; SMN2
SCHEMBL13617489 0.76 MAPT (0.32) 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 4 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 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-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 SMN1; SMN2 2726/4885ALDH1A1 927/4885CYP2C19 189/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 SMN1; SMN2 2726/4885ALDH1A1 927/4885CYP2C19 189/4885

“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.