SCHEMBL16269366

SCHEMBL16269366

CN(C)CCNCc1ncccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
TERT O14746 1/20 0.42
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HTR5A P47898 1/20 0.39
ALOX15 P16050 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
KAT2B Q92831 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL16268932 0.83 CYP2C19 (0.45) CYP2C19TERTSMN1; SMN2ALOX15MEN1
SCHEMBL7995737 0.82 SLC40A1 (0.38) SMN1; SMN2HTR5AMEN1KMT2ASLC40A1
SCHEMBL16269117 0.81 CYP2C19 (0.44) CYP2C19TERTSMN1; SMN2HTR5ATAAR1
SCHEMBL16269614 0.81 TERT (0.46) CYP2C19TERTHTR5AALOX15TAAR1
SCHEMBL10483955 0.79 CHRM2 (0.40) SIGMAR1SMN1; SMN2HTR5AMEN1KMT2A
SCHEMBL16269200 0.78 CYP2C19 (0.49) CYP2C19TERTALOX15MEN1KMT2A
SCHEMBL16269666 0.78 CD38 (0.43) CYP2C19TERTMEN1KMT2ACCNK
SCHEMBL16269026 0.77 KDM4E (0.38) MEN1KMT2ASLC40A1
SCHEMBL19582432 0.77 SLC40A1 (0.36) HTR5AMEN1KMT2ASLC40A1CYP2D6
SCHEMBL19582446 0.76 KDM4E (0.51) TERTITGB2ICAM1ITGALSIGMAR1

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 8 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-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-16 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 (3 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 CYP2C19 1049/4885TERT 4599/4885ITGB2 542/4885
US-10202368-B2 CXCR7 receptor modulators CXCR1, CXCR5, CXCR2 CYP2C19 853/4885TERT 4496/4885ITGB2 850/4885
US-20170327493-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 CYP2C19 768/4885TERT 4485/4885ITGB2 1078/4885

“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.