SCHEMBL5859908

SCHEMBL5859908

COC(=O)CN1CCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
GAA P10253 2/20 0.66
CHRM2 P08172 6/20 0.63
CHRM4 P08173 6/20 0.63
CHRM1 P11229 6/20 0.63
CHRM3 P20309 6/20 0.63
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 3/20 0.55
USP2 O75604 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALPL P05186 1/20 0.54
ALPG P10696 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NOTUM Q6P988 1/20 0.53

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
SCHEMBL5859165 0.91 NOTUM (0.59) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL21248553 0.86 CHRM2 (0.65) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL5250240 0.86 CHRM2 (0.60) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL9974151 0.83 CHRM2 (0.68) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL20340248 0.82 ALDH1A1 (0.59) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL14564376 0.82 CHRM2 (0.67) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL1102038 0.81 CHRM2 (0.70) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL18860376 0.81 CHRM2 (0.57) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL6233823 0.81 ALDH1A1 (0.44) ALDH1A1GAACHRM2CHRM4CHRM1
SCHEMBL6234280 0.81 ALDH1A1 (0.44) ALDH1A1GAACHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8333345-A None JP disclosed
US-10188671-B2 Boron-dipyrrin complex and medicament containing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-01-29 US disclosed
US-20180042948-A1 BORON-DIPYRRIN COMPLEX AND MEDICAMENT CONTAINING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-02-15 US disclosed
US-20180042948-A1 BORON-DIPYRRIN COMPLEX AND MEDICAMENT CONTAINING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-02-15 US disclosed
US-7109222-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY, LLC (US) 2006-09-19 US disclosed
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-26 US disclosed
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2005-05-19 US disclosed
US-6867224-B2 Compounds that modulate PPAR activity and methods of preparation WARNER-LAMBERT COMPANY (US) 2005-03-15 US disclosed
EP-1480641-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY (US) 2004-12-01 EP disclosed
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation CHENG XUE-MIN (US) 2003-11-06 US disclosed
WO-2003074051-A1 SUBSTITUTED THIAZOLES AND OXAZOLES THAT MODULATE PPAR ACTIVITY WARNER-LAMBERT COMPANY LLC (GB) 2003-09-12 WO disclosed
JP-H08333345-A SYNTHESIS OF OPTICALLY ACTIVE 1,2,3,4-TETRAHYDROQUINONLINE-2-ACETIC ACID ESTERS BY ASYMMETRIC HYDROGENATION REACTION SUMITOMO PHARMACEUT CO LTD 1996-12-17 JP 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 (5 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-10188671-B2 Boron-dipyrrin complex and medicament containing the same IAPP, APP, APBA1 ALDH1A1 2870/4885GAA 429/4885CHRM2 1889/4885
US-20180042948-A1 BORON-DIPYRRIN COMPLEX AND MEDICAMENT CONTAINING THE SAME CD79B, APP, BCHE ALDH1A1 4154/4885GAA 2043/4885CHRM2 95/4885
US-20050113422-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG ALDH1A1 845/4885GAA 866/4885CHRM2 1471/4885
US-20030207915-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG ALDH1A1 845/4885GAA 866/4885CHRM2 1471/4885
US-20050107442-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARD, PPARG ALDH1A1 845/4885GAA 866/4885CHRM2 1471/4885

“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.