SCHEMBL805471

SCHEMBL805471

CCN1CCc2cnccc2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
PNMT P11086 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
KDM4E B2RXH2 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NAMPT P43490 2/20 0.38
PRMT5 O14744 3/20 0.38
WDR77 Q9BQA1 3/20 0.38
MMP9 P14780 1/20 0.37
CHEK1 O14757 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL6369536 0.93 SIGMAR1 (0.46) SIGMAR1PNMTCHRNB2CHRNA4HRH3
SCHEMBL8371349 0.85 NAMPT (0.43) SIGMAR1CHRNB2CHRNA4NAMPT
SCHEMBL14879203 0.83 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4KDM4ETAAR1
SCHEMBL18212476 0.82 NAMPT (0.49) SIGMAR1CHRNB2CHRNA4NAMPTPRMT5
SCHEMBL29852286 0.80 PNMT (0.47) SIGMAR1PNMTKDM4ETAAR1NAMPT
SCHEMBL28668552 0.80 PRMT5 (0.45) SIGMAR1NAMPTPRMT5WDR77
SCHEMBL18212477 0.80 PRMT5 (0.45) SIGMAR1NAMPTPRMT5WDR77
Hydrochloric Acid SCHEMBL18205147 0.79 PRMT5 (0.44) SIGMAR1NAMPTPRMT5WDR77
Hydrochloric Acid SCHEMBL18205144 0.79 PRMT5 (0.44) SIGMAR1NAMPTPRMT5WDR77
SCHEMBL3934584 0.78 LMNA (0.53) SIGMAR1PNMTPRMT5WDR77ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247595-A1 PYRAZOLOPYRAZINE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
EP-2268280-B1 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-04-24 EP disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 US disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
WO-2009117283-A2 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-09-24 WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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 (3 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-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 SIGMAR1 36/4885PNMT 470/4885CHRNB2 41/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 SIGMAR1 103/4885PNMT 2162/4885CHRNB2 873/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SIGMAR1 369/4885PNMT 2206/4885CHRNB2 636/4885

“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.