Sugi Predict

Sugi Predict / Compounds / SCHEMBL6362178

SCHEMBL6362178

SCHEMBL6362178

CCCNC(=O)c1ccc(Cl)s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.69
▸ HPGD P15428 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ GSK3B P49841 1/20 0.53
▸ F10 P00742 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ JMJD7 P0C870 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ F2 P00734 1/20 0.48
▸ DAO P14920 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 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
SCHEMBL16556595 0.90 MAPK1 (0.66) MAPK1HPGDTSHRGSK3BF10
SCHEMBL13509598 0.89 MAPK1 (0.64) MAPK1HPGDTSHRGSK3BF10
SCHEMBL14627824 0.86 MAPK1 (0.64) MAPK1HPGDTSHRGSK3BF10
SCHEMBL5429275 0.83 MAPK1 (0.65) MAPK1HPGDTSHRGSK3BF10
SCHEMBL27547515 0.82 GAA (0.54) MAPK1HPGDPOLBKDM4ENPC1
SCHEMBL5630030 0.81 MAPK1 (0.63) MAPK1HPGDTSHRGSK3BF10
SCHEMBL8361443 0.81 MAPK1 (0.63) MAPK1HPGDTSHRGSK3BF10
SCHEMBL1587164 0.81 KDM4E (0.51) MAPK1HPGDPOLBKDM4ENPC1
SCHEMBL12124267 0.81 POLB (0.65) HPGDPOLBKDM4ENPC1ESR1
SCHEMBL6360616 0.81 GSK3B (0.53) MAPK1HPGDTSHRGSK3BPOLB

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
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
EP-1631569-B1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2009-08-26 — — EP disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 MAPK1 1600/4885HPGD 2359/4885TSHR 184/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 MAPK1 1600/4885HPGD 2359/4885TSHR 184/4885

“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.