SCHEMBL1768877

SCHEMBL1768877

N[C@@H](CNC(=O)N1CCC(n2ccnc2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ MMP1 P03956 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34
▸ TACR2 P21452 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL1768880 1.00 PRMT5 (0.42) PRMT5WDR77ITGB3ITGA2BF10
SCHEMBL13585819 0.88 PRMT5 (0.41) PRMT5WDR77F10MMP1SMYD3
SCHEMBL13585823 0.88 PRMT5 (0.41) PRMT5WDR77F10MMP1SMYD3
SCHEMBL13584814 0.81 F10 (0.44) PRMT5WDR77F10SMYD3TACR2
SCHEMBL13584816 0.81 F10 (0.44) PRMT5WDR77F10SMYD3TACR2
SCHEMBL15208902 0.80 F10 (0.47) PRMT5WDR77ITGB3F10SMYD3
SCHEMBL15208904 0.80 F10 (0.47) PRMT5WDR77ITGB3F10SMYD3
SCHEMBL1768410 0.79 MMP1 (0.37) PRMT5WDR77ITGB3ITGA2BF10
SCHEMBL1768413 0.79 MMP1 (0.37) PRMT5WDR77ITGB3ITGA2BF10
SCHEMBL13585813 0.75 DPP7 (0.40) PRMT5WDR77ITGB3ITGA2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 — — US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 — — EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 — — 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 (1 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 PRMT5 3245/4885WDR77 1921/4885ITGB3 3255/4885

“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.

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