SCHEMBL17802010

SCHEMBL17802010

O=C1c2c(cccc2[N+](=O)[O-])OCCN1CC1CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.50
ACKR3 P25106 10/20 0.44
ACHE P22303 1/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAPT P10636 2/20 0.35
S100A4 P26447 1/20 0.35
NPC1 O15118 1/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 1/20 0.35
S1PR1 P21453 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL19582463 0.81 GRM2 (0.50) GRM2ACKR3ACHECHRNB4CHRNA3
SCHEMBL19582252 0.80 ACKR3 (0.46) GRM2ACKR3
SCHEMBL24469503 0.76 PARP1 (0.49) GRM2ACHEKMT2AMEN1DDB1
SCHEMBL17801946 0.76 ACKR3 (0.42) GRM2ACKR3ACHECHRNB4CHRNA3
SCHEMBL4033048 0.75 PARP1 (0.46) GRM2ACHEKMT2AMEN1DDB1
SCHEMBL19582567 0.73 ACKR3 (0.63) ACKR3
SCHEMBL4033749 0.72 PARP1 (0.47) GRM2ACHEKMT2AMEN1DDB1
SCHEMBL4024231 0.71 PARP1 (0.46) GRM2ACHEKMT2AMEN1DDB1
SCHEMBL5258580 0.69 MAPT (0.49) ACHEKMT2AL3MBTL1MAPTS100A4
SCHEMBL19582222 0.69 GRM2 (0.53) GRM2ACKR3ACHEKMT2AMEN1

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 GRM2 877/4885ACKR3 8/4885ACHE 3910/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 GRM2 961/4885ACKR3 9/4885ACHE 3535/4885

“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.