SCHEMBL13137239

SCHEMBL13137239

Cc1cc2ncn(C)c2cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
DYRK1A Q13627 1/20 0.33
GRM5 P41594 1/20 0.33
GAA P10253 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL29896759 0.94 CHRNB2 (0.35) CHRNB2CHRNA4SMN1; SMN2LMNAKMT2A
SCHEMBL13137240 0.94 CHRNB2 (0.35) CHRNB2CHRNA4SMN1; SMN2LMNAKMT2A
SCHEMBL24978846 0.83 LMNA (0.35) CHRNB2CHRNA4SMN1; SMN2LMNAKMT2A
SCHEMBL17559098 0.81 CHRNB2 (0.34) CHRNB2CHRNA4DYRK1AGRM5ALDH1A1
SCHEMBL23702261 0.79 EGFR (0.40) CHRNB2CHRNA4KMT2AMEN1DYRK1A
SCHEMBL23302158 0.78 CHRNB2 (0.35) CHRNB2CHRNA4DYRK1AGRM5
SCHEMBL12374406 0.77 MAPK1 (0.39)
SCHEMBL3050504 0.76 NPC1 (0.32) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL13028373 0.75 DYRK1A (0.42) DYRK1A
SCHEMBL13028375 0.75 GRM5 (0.42) SMN1; SMN2LMNAKMT2AGRM5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 CHRNB2 64/4885CHRNA4 54/4885SMN1; SMN2 1659/4885

“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.