SCHEMBL17801908

SCHEMBL17801908

CCN1CCOc2c(N)cccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 8/20 0.41
HTT P42858 2/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ATM Q13315 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL17801948 0.82 ACKR3 (0.43) ACKR3CYP1B1TNIK
SCHEMBL17801970 0.79 MAPT (0.39) ACKR3HTTMAPTMEN1KMT2A
SCHEMBL12714444 0.77 GRM5 (0.38) ACKR3KMT2ASMN1; SMN2ROCK2ROCK1
SCHEMBL19582447 0.76 HTT (0.42) ACKR3HTTMAPTMEN1KMT2A
SCHEMBL38653482 0.76 PRMT5 (0.51) HTTKMT2ASMN1; SMN2
SCHEMBL19582388 0.75 ACKR3 (0.56) ACKR3HTTMAPT
SCHEMBL1774957 0.72 ACACB (0.38) ACKR3TNIKALPL
SCHEMBL1949749 0.71 BRD4 (0.44) HTTMAPTMEN1KMT2AUSP2
SCHEMBL20873632 0.71 ACKR3 (0.39) ACKR3MAPTHTR6KDM4EGAA
SCHEMBL1031810 0.70 GRM5 (0.35) HTTKDM4EGAASMN1; SMN2ALPL

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 8/4885HTT 3030/4885MAPT 4603/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 ACKR3 9/4885HTT 3676/4885MAPT 4692/4885

“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.