SCHEMBL547798

SCHEMBL547798

[c]1c(-c2cc3ccccc3o2)oc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.47
MAOA P21397 3/20 0.47
GRM4 Q14833 1/20 0.44
ALOX5 P09917 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
ADRA2A P08913 2/20 0.41
METAP2 P50579 1/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL4306501 0.79 ALDH1A1 (0.51) RAB9ANPC1MAPTCA1CA9
SCHEMBL103158 0.76 MAOB (0.63) MAOBMAOAGRM4ALOX5RAB9A
SCHEMBL30036439 0.76 MAOB (0.63) MAOBMAOAGRM4ALOX5RAB9A
SCHEMBL2150499 0.72 MAOB (0.59) MAOBMAOAGRM4ALOX5RAB9A
SCHEMBL5583016 0.70 NPC1 (0.45) MAOBMAOAGRM4ALOX5RAB9A
SCHEMBL2149640 0.70 MAOB (0.57) MAOBMAOAGRM4ALOX5RAB9A
SCHEMBL7125605 0.70 MAOB (0.68) MAOBMAOAGRM4ALOX5RAB9A
SCHEMBL19433431 0.69 NPC1 (0.51) MAOBMAOAGRM4ALOX5RAB9A
SCHEMBL731363 0.69 MAOB (0.71) MAOBMAOAALOX5RAB9ANPC1
SCHEMBL12854020 0.69 MAOB (0.71) MAOBMAOAGRM4ALOX5RAB9A

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779168-B2 Lactone compounds and materials made therefrom TRANSITIONS OPTICAL, INC. (US) 2014-07-15 US claimed
US-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US claimed
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP claimed
JP-4554364-B2 2010-09-29 JP claimed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US claimed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP claimed
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-04-22 US claimed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 WO claimed
EP-3659609-B1 THERAPEUTIC AGENT FOR FIBROSIS KYORIN SEIYAKU KK (JP) 2024-05-08 EP disclosed
US-20240016937-A1 COMPOSITION CONTAINING NUCLEIC ACID MOLECULE STABLY TORAY INDUSTRIES, INC. (JP) 2024-01-18 US disclosed
US-11326163-B2 Therapeutic agent for fibrosis KYORIN PHARMACEUTICAL CO., LTD. (JP) 2022-05-10 US disclosed
US-20210087556-A1 THERAPEUTIC AGENT FOR FIBROSIS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2021-03-25 US disclosed
EP-3659609-A1 THERAPEUTIC AGENT FOR FIBROSIS Kyorin Pharmaceutical Co., Ltd. (JP) 2020-06-03 EP disclosed
EP-3098230-B1 THIOETHER COMPOUND FOR THE PROTECTION OF THE 2'-HYDROXY GROUP IN NUCLEOSIDES TO BE USED IN OLIGONUCLEOTIDE SYNTHESIS. BONAC CORP (JP) 2020-05-06 EP disclosed
EP-1718635-A1 PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-08 EP disclosed
WO-2005082889-A1 PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-09 WO disclosed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP disclosed
US-20040224986-A1 Piperidinyl targeting compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-11-11 US disclosed
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-04-22 US disclosed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 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 (6 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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B MAOB 4570/4885MAOA 4735/4885GRM4 1592/4885
US-20210087556-A1 THERAPEUTIC AGENT FOR FIBROSIS SMAD3, SMAD2, NEK6 MAOB 3963/4885MAOA 3640/4885GRM4 4142/4885
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B MAOB 4570/4885MAOA 4735/4885GRM4 1592/4885
US-11326163-B2 Therapeutic agent for fibrosis SMAD3, SMAD2, NEK6 MAOB 3963/4885MAOA 3640/4885GRM4 4142/4885
US-20240016937-A1 COMPOSITION CONTAINING NUCLEIC ACID MOLECULE STABLY NSUN2, POLRMT, POLN MAOB 4415/4885MAOA 4628/4885GRM4 4707/4885
US-20040224986-A1 Piperidinyl targeting compounds that selectively bind integrins ITGA5, ITGB5, ITGB1 MAOB 4308/4885MAOA 4586/4885GRM4 1084/4885

“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.