SCHEMBL547283

SCHEMBL547283

[c]1cccc2c1OC(c1ccc3c(c1)OCCC3)CC2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
FFAR1 O14842 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL547659 0.81 RAB9A (0.36) ESR1ESR2NPC1RAB9A
SCHEMBL19088010 0.74 RAB9A (0.44) ESR1ESR2FFAR1NPC1RAB9A
SCHEMBL25901189 0.72 RAB9A (0.50) ESR1ESR2NPC1RAB9AKCNH2
SCHEMBL1230573 0.71 TSHR (0.36)
SCHEMBL15839854 0.70 L3MBTL1 (0.41) ESR1ESR2L3MBTL1KCNH2
SCHEMBL547196 0.70 ESR1 (0.42) ESR1ESR2L3MBTL1NPC1RAB9A
SCHEMBL19301952 0.69 RAB9A (0.59) ESR1ESR2FFAR1L3MBTL1NPC1
SCHEMBL5584790 0.67 L3MBTL1 (0.36) ESR1ESR2L3MBTL1KCNH2
SCHEMBL19228057 0.67 RAB9A (0.35) ESR1ESR2L3MBTL1NPC1RAB9A
SCHEMBL1897286 0.67 TSHR (0.39)

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
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
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US claimed
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, NV (BE) 2004-04-22 US claimed
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS DE CORTE BART 2011-04-21 US disclosed
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 disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US 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

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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B ESR1 1474/4885ESR2 828/4885FFAR1 1864/4885
US-20040077684-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B ESR1 1474/4885ESR2 828/4885FFAR1 1864/4885
US-20040224986-A1 Piperidinyl targeting compounds that selectively bind integrins ITGA5, ITGB5, ITGB1 ESR1 3174/4885ESR2 2272/4885FFAR1 106/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B ESR1 1474/4885ESR2 828/4885FFAR1 1864/4885

“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.