Sugi Predict

Sugi Predict / Compounds / SCHEMBL3971681

SCHEMBL3971681

SCHEMBL3971681

OCC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ KCNH2 Q12809 4/20 0.56
▸ OPRK1 P41145 3/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ CHRM2 P08172 1/20 0.54
▸ CHRM4 P08173 1/20 0.54
▸ CHRM5 P08912 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNA7 P36544 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48

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
SCHEMBL12794645 1.00 ALDH1A1 (0.56) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL13767943 0.93 KCNH2 (0.53) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL3971643 0.84 CHRM2 (0.56) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL6945483 0.84 OPRM1 (0.64) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL12794646 0.84 CHRM2 (0.56) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL3971648 0.84 CHRM2 (0.56) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL5352082 0.83 KCNH2 (0.56) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL5352080 0.83 KCNH2 (0.56) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL694189 0.82 CHRM2 (0.62) ALDH1A1KCNH2OPRK1OPRM1OPRD1
SCHEMBL16766562 0.82 CHRM2 (0.62) ALDH1A1KCNH2OPRK1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 — — US disclosed
EP-3418276-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2018-12-26 — — EP disclosed
WO-2012172043-A1 PURINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS FOR PREVENTION OR TREATMENT OF BACTERIAL INFECTIONS LABORATOIRE BIODIM (FR) 2012-12-20 — — WO disclosed
EP-1682142-B1 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-07-11 — — EP disclosed
US-7906531-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-03-15 — — US disclosed
US-20090275604-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2009-11-05 — — US disclosed
US-7563803-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2009-07-21 — — US disclosed
US-20080287487-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-11-20 — — US disclosed
US-20080287487-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2008-11-20 — — US disclosed
US-7439255-B2 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2008-10-21 — — US disclosed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 — — US disclosed
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists LAINE DRAMANE I 2008-10-09 — — US disclosed
US-20070270456-A1 M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED 2007-11-22 — — US disclosed
US-20070238751-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-10-11 — — US disclosed
US-20070238751-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-10-11 — — US disclosed
US-20070129396-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED 2007-06-07 — — US disclosed
EP-1682142-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-07-26 — — EP disclosed
WO-2005046586-A2 M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-05-26 — — 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 (7 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-20070129396-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 ALDH1A1 2948/4885KCNH2 390/4885OPRK1 79/4885
US-20080287487-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 ALDH1A1 2948/4885KCNH2 390/4885OPRK1 79/4885
US-20090275604-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM5 ALDH1A1 2547/4885KCNH2 357/4885OPRK1 75/4885
US-20070238751-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 ALDH1A1 2948/4885KCNH2 390/4885OPRK1 79/4885
US-20080249127-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 ALDH1A1 2948/4885KCNH2 390/4885OPRK1 79/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 ALDH1A1 254/4885KCNH2 1208/4885OPRK1 2791/4885
US-20070270456-A1 M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRM5 ALDH1A1 2547/4885KCNH2 357/4885OPRK1 75/4885

“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.