SCHEMBL548108

SCHEMBL548108

O=C(O)CCCC1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
POLB P06746 3/20 0.54
CHRM4 P08173 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
LMNA P02545 4/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
HTR3A P46098 1/20 0.49

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
SCHEMBL1410310 0.88 NOTUM (0.66) NOTUMPOLBCHRM4HRH3LMNA
SCHEMBL12042021 0.85 NOTUM (0.56) NOTUMCHRM4HRH3
SCHEMBL381806 0.84 NOTUM (0.54) NOTUMCHRM4HRH3
SCHEMBL6794719 0.83 FFAR4 (0.51) NOTUMCHRM4LMNAALDH1A1MAPT
SCHEMBL1727477 0.82 CHRM4 (0.66) NOTUMPOLBCHRM4HRH3LMNA
SCHEMBL239283 0.82 HRH3 (0.58) NOTUMPOLBCHRM4HRH3LMNA
SCHEMBL2114093 0.81 SIGMAR1 (0.67) POLBSIGMAR1
SCHEMBL2113032 0.81 SIGMAR1 (0.69) SIGMAR1
SCHEMBL4687501 0.80 SIGMAR1 (0.67) SIGMAR1
SCHEMBL4938916 0.80 SIGMAR1 (0.67) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (2 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 NOTUM 4655/4885POLB 3688/4885CHRM4 2224/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B NOTUM 4655/4885POLB 3688/4885CHRM4 2224/4885

“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.