SCHEMBL17801970

SCHEMBL17801970

CCN1CCOc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACKR3 P25106 7/20 0.39
S100A4 P26447 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 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
SCHEMBL19582463 0.84 GRM2 (0.50) MAPTACKR3S100A4KMT2ARECQL
SCHEMBL17801908 0.79 ACKR3 (0.41) MAPTHTTACKR3KMT2AALDH1A1
SCHEMBL19582373 0.79 CYP1A2 (0.43) MAPTHTTLMNAL3MBTL1S100A4
SCHEMBL17802004 0.75 KMT2A (0.41) MAPTLMNAACKR3KMT2ACYP1A2
SCHEMBL1948769 0.74 S100A4 (0.42) MAPTHTTLMNAS100A4PKM
SCHEMBL38653482 0.72 PRMT5 (0.51) HTTPKMKMT2A
SCHEMBL2247062 0.72 MAPT (0.49) MAPTHTTLMNAS100A4KMT2A
SCHEMBL19582388 0.71 ACKR3 (0.56) MAPTHTTACKR3
SCHEMBL21461046 0.69 MAP3K5 (0.41) MAPTKMT2ARECQLMCL1RXFP1
SCHEMBL21461173 0.69 S100A4 (0.42) MAPTHTTLMNAS100A4KMT2A

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 MAPT 4603/4885HTT 3030/4885LMNA 4407/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 MAPT 4692/4885HTT 3676/4885LMNA 3981/4885

“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.