SCHEMBL19582802

SCHEMBL19582802

CN1CCN(CC2CC2)C(=O)c2cccc(NCC(=O)OCc3ccccc3)c21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.54
CHRM3 P20309 5/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
GRIN2B Q13224 1/20 0.36
HTT P42858 1/20 0.36
PTPN1 P18031 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL17801915 0.85 ACKR3 (0.59) ACKR3CHRM3KCNH2GRM2
SCHEMBL19582548 0.70 ACKR3 (0.44) ACKR3KCNH2GRM2
SCHEMBL19582390 0.69 ACKR3 (0.47) ACKR3HTT
SCHEMBL16269334 0.68 GRM5 (0.42) ACKR3KCNH2GRM2
SCHEMBL19582222 0.67 GRM2 (0.53) ACKR3KCNH2GRM2
SCHEMBL28598894 0.64 ALDH1A1 (0.53)
SCHEMBL17802019 0.64 ACKR3 (0.58) ACKR3
SCHEMBL5435137 0.64 ALDH1A1 (0.53)
SCHEMBL8053191 0.64 SIRT2 (0.53)
SCHEMBL15521641 0.63 KEAP1 (0.48) HTT

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 3 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

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 8/4885CHRM3 274/4885KCNH2 2619/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 ACKR3 9/4885CHRM3 239/4885KCNH2 2404/4885

“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.