SCHEMBL2966068

SCHEMBL2966068

OB(O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 8/20 0.61
PSMB5 P28074 8/20 0.61
PSMB2 P49721 5/20 0.61
LTA4H P09960 8/20 0.59
HRH3 Q9Y5N1 2/20 0.59
PTGS2 P35354 3/20 0.58
KDM4E B2RXH2 1/20 0.58
PTGS1 P23219 1/20 0.58

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
SCHEMBL3125089 0.98 PSMB1 (0.64) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL29953914 0.98 PSMB1 (0.64) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL29955521 0.90 HRH3 (0.69) HRH3
SCHEMBL2562413 0.87 LTA4H (0.58) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL2555773 0.87 NPC1 (0.56) LTA4HHRH3KDM4E
SCHEMBL2563140 0.87 PSMB1 (0.48) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL4089600 0.86 LTA4H (0.56) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL1876565 0.86 NPC1 (0.61) LTA4HHRH3KDM4E
SCHEMBL4083675 0.85 HRH3 (0.56) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL2562780 0.83 SIGMAR1 (0.66) HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9586952-B2 Polycyclic estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-03-07 US disclosed
US-9586952-B2 Polycyclic estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-03-07 US disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-20160355508-A1 POLYCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-08 US disclosed
US-20160355508-A1 POLYCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-12-08 US disclosed
US-6762198-B2 SUCH AS 2-((4'-METHOXY-(1,1'-BIPHENYL)-4-YL)-SULFONYL)-AMINO-3-(2-PHENOXYMETHYL -(1,3)DIOXAN-2-YL)PROPIONIC ACID THE PROCTER & GAMBLE COMPANY 2004-07-13 US disclosed
US-6750233-B2 SELECTIVITY PHARMACIA CORPORATION 2004-06-15 US disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-6566381-B1 For therapy of arthritis, cancer, cardiovascular disorder, skin disorder, ocular disorder, inflammation and gum disease THE PROCTER & GAMBLE COMPANY 2003-05-20 US disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
US-6541489-B1 Excellent inhibitory activity of one or more matrix metalloprotease (MMP) enzymes, such as MMP-2, MMP-9, and MMP-13, while exhibiting substantially less inhibition at least of MMP- 1 G. D. SEARLE & COMPANY 2003-04-01 US disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 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 (4 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-20030225074-A1 Dihetero-substituted metalloprotease inhibitors ADAM9, ADAM17, ADAM8 PSMB1 1231/4885PSMB5 1086/4885PSMB2 1362/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PSMB1 2914/4885PSMB5 2715/4885PSMB2 2952/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B PSMB1 2914/4885PSMB5 2715/4885PSMB2 2952/4885
US-20160355508-A1 POLYCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 PSMB1 1376/4885PSMB5 863/4885PSMB2 714/4885

“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.