SCHEMBL10154199

SCHEMBL10154199

COC(=O)CC(c1cnc2ccccc2c1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 2/20 0.47
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ITGB3 P05106 5/20 0.44
ITGA2B P08514 4/20 0.44
ITGAV P06756 2/20 0.44
ITGB5 P18084 1/20 0.44
F2R P25116 1/20 0.43
PDE4D Q08499 1/20 0.39
HPGDS O60760 1/20 0.39
AKT1 P31749 1/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10154200 0.89 TRPV1 (0.46) KMT2ASMN1; SMN2KDM4EITGB3ITGA2B
SCHEMBL10154236 0.82 ITGB3 (0.50) KMT2ASMN1; SMN2KDM4EITGB3ITGA2B
SCHEMBL12892122 0.81 ITGB3 (0.45) KDM4EITGB3ITGA2BITGAVITGB5
SCHEMBL7451882 0.78 KDM4E (0.51) KMT2ASMN1; SMN2KDM4EPDE4DNPC1
SCHEMBL5041314 0.76 KDM4E (0.49) KMT2ASMN1; SMN2KDM4EITGB3ITGA2B
SCHEMBL13344628 0.76 KDM4E (0.49) KMT2ASMN1; SMN2KDM4EITGB3ITGA2B
Hydrochloric Acid SCHEMBL6506600 0.75 KDM4E (0.48) KMT2ASMN1; SMN2KDM4EITGB3ITGA2B
SCHEMBL8344058 0.71 GPR119 (0.42) KDM4EITGB3ITGA2BITGAVITGB5
SCHEMBL21688300 0.71 FFAR1 (0.56) KMT2ASMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6071175 0.70 TACR3 (0.45) KMT2ASMN1; SMN2KDM4EITGB3ITGA2B

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 SLC6A2 4137/4885SLC6A4 3832/4885SLC6A3 3997/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B SLC6A2 4137/4885SLC6A4 3832/4885SLC6A3 3997/4885

“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.