SCHEMBL10154236

SCHEMBL10154236

COC(=O)CC(CCC1CCNCC1)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.50
ITGA2B P08514 5/20 0.50
F2R P25116 1/20 0.50
ITGAV P06756 4/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ITGB5 P18084 1/20 0.38
PDE4D Q08499 1/20 0.37
HPGDS O60760 2/20 0.37
FAAH O00519 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8346467 0.83 KDM4E (0.43) ITGB3ITGA2BF2RITGAVKDM4E
SCHEMBL10154199 0.82 SLC6A2 (0.47) ITGB3ITGA2BF2RITGAVKMT2A
SCHEMBL7451882 0.82 KDM4E (0.51) KMT2ASMN1; SMN2KDM4EPDE4DNPC1
SCHEMBL10154224 0.80 ITGB3 (0.41) ITGB3ITGA2BITGAVITGB5
SCHEMBL12892146 0.79 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL2902210 0.76 ITGB3 (0.59) ITGB3ITGA2BF2RITGAVITGB5
SCHEMBL2906524 0.76 ITGB3 (0.73) ITGB3ITGA2BITGAVITGB5
SCHEMBL2925954 0.76 ITGB3 (0.40) ITGB3ITGA2BF2RITGAVITGB5
SCHEMBL8019565 0.74 ITGB3 (0.47) ITGB3ITGA2BF2RITGAVKDM4E
SCHEMBL8032542 0.74 ITGB3 (0.47) ITGB3ITGA2BF2RITGAVKDM4E

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-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-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-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-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 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 (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 ITGB3 1/4885ITGA2B 3/4885F2R 112/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGA2B 3/4885F2R 112/4885

“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.