SCHEMBL13584816

SCHEMBL13584816

NC(CC(=O)N1CCC(n2ccnc2)CC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.44
▸ DPP8 Q6V1X1 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.34
▸ SPR P35270 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ DPP4 P27487 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ CPN1 P15169 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32

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
SCHEMBL13584814 1.00 F10 (0.44) F10DPP8TDP1TACR2KDM4E
SCHEMBL15208904 0.88 F10 (0.47) F10DPP8TACR2SMYD3PRCP
SCHEMBL15208902 0.88 F10 (0.47) F10DPP8TACR2SMYD3PRCP
SCHEMBL1768877 0.81 PRMT5 (0.42) F10TACR2CYP2C9CYP2C19SMYD3
SCHEMBL1768880 0.81 PRMT5 (0.42) F10TACR2CYP2C9CYP2C19SMYD3
SCHEMBL13585823 0.80 PRMT5 (0.41) F10TACR2CYP2C9SMYD3PRMT5
SCHEMBL13585819 0.80 PRMT5 (0.41) F10TACR2CYP2C9SMYD3PRMT5
SCHEMBL13584922 0.78 F10 (0.38) F10TACR2KDM4EPRCPTBXAS1
SCHEMBL13584925 0.78 F10 (0.38) F10TACR2KDM4EPRCPTBXAS1
SCHEMBL13585826 0.77 F10 (0.40) F10TACR2KDM4ECYP2C19PRCP

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-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 — — US disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 — — US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 — — US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 — — US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 — — US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 — — CN disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 — — US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 — — CN 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 (3 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 F10 257/4885DPP8 1834/4885TDP1 4168/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 F10 2468/4885DPP8 781/4885TDP1 4654/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 F10 2612/4885DPP8 882/4885TDP1 4682/4885

“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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