SCHEMBL16269331

SCHEMBL16269331

C#CCN1CCc2c(N)cccc2C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.39
AKR1C3 P42330 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 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
SCHEMBL6369712 0.80 HRH3 (0.54) CD44AKR1C3HRH3CARM1PRMT6
Hydrochloric Acid SCHEMBL4512719 0.78 HRH3 (0.53) CD44AKR1C3HRH3CARM1PRMT6
SCHEMBL30443592 0.77 KDM4E (0.49) CARM1
SCHEMBL3450752 0.77 KDM4E (0.49) CARM1
SCHEMBL7797939 0.77 HRH3 (0.46) CD44HRH3
SCHEMBL4780438 0.76 HRH3 (0.53) CD44AKR1C3HRH3
SCHEMBL16268875 0.76 HRH3 (0.42) HRH3
SCHEMBL14272178 0.76 PNMT (0.50)
Bromide SCHEMBL11735060 0.76 HRH3 (0.45) CD44HRH3
SCHEMBL31454357 0.74 CD44 (0.40) CD44AKR1C3HRH3CARM1PRMT6

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
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 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 (1 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 CD44 2366/4885AKR1C3 814/4885HRH3 246/4885

“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.