SCHEMBL17801875

SCHEMBL17801875

COc1ccc(CN2CCOc3c(cccc3NCC(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.47
TNF P01375 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NOD1 Q9Y239 1/20 0.46
PTGER2 P43116 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
FAAH O00519 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL17801966 0.82 ACKR3 (0.56) ACKR3
SCHEMBL17801974 0.80 ACKR3 (0.57) ACKR3
SCHEMBL17802006 0.79 ACKR3 (0.62) ACKR3
SCHEMBL20873635 0.78 SMN1; SMN2 (0.52) TNFNOD2NOD1PTGER2SMN1; SMN2
SCHEMBL17801896 0.77 ACKR3 (0.57) ACKR3
SCHEMBL17802013 0.77 ACKR3 (0.78) ACKR3
SCHEMBL17801926 0.76 FAAH (0.41) TNFNOD2NOD1SMN1; SMN2FAAH
SCHEMBL17801877 0.73 ACKR3 (0.55) ACKR3
SCHEMBL17957589 0.69 TSHR (0.51) TNFNOD2NOD1PTGER2SMN1; SMN2
SCHEMBL17958046 0.68 HDAC1 (0.59) TNFNOD2NOD1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227263-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-10 EP disclosed
US-10202368-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-12 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 US disclosed
EP-3227263-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd (CH) 2017-10-11 EP disclosed
WO-2016087370-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-06-09 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-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 ACKR3 8/4885TNF 2704/4885NOD2 1853/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 ACKR3 9/4885TNF 1978/4885NOD2 1920/4885

“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.