SCHEMBL17801915

SCHEMBL17801915

CN1CCN(CC2CC2)C(=O)c2cccc(NCC(=O)O)c21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 15/20 0.59
KCNH2 Q12809 3/20 0.41
GRM2 Q14416 3/20 0.41
CHRM3 P20309 2/20 0.37

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
SCHEMBL19582802 0.85 ACKR3 (0.54) ACKR3KCNH2GRM2CHRM3
SCHEMBL16269334 0.81 GRM5 (0.42) ACKR3KCNH2GRM2
SCHEMBL19582537 0.78 ACKR3 (0.57) ACKR3
SCHEMBL17802019 0.77 ACKR3 (0.58) ACKR3
SCHEMBL19582548 0.77 ACKR3 (0.44) ACKR3KCNH2GRM2
SCHEMBL17801963 0.76 ACKR3 (1.00) ACKR3
SCHEMBL17801929 0.75 ACKR3 (1.00) ACKR3
SCHEMBL17801919 0.75 ACKR3 (1.00) ACKR3
SCHEMBL19582222 0.73 GRM2 (0.53) ACKR3KCNH2GRM2
SCHEMBL19582567 0.72 ACKR3 (0.63) ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001279-B CXCR7 receptor modulators 爱杜西亚药品有限公司 2020-10-20 CN disclosed
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 8/4885KCNH2 2619/4885GRM2 877/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 ACKR3 9/4885KCNH2 2404/4885GRM2 961/4885

“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.