SCHEMBL5559565

SCHEMBL5559565

NCC(c1cccc(Cl)c1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 3/20 0.45
TACR1 P25103 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRM1 P35372 6/20 0.41
OPRD1 P41143 6/20 0.41
OPRK1 P41145 6/20 0.41
OPRL1 P41146 6/20 0.41
SLC6A3 Q01959 3/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL8276866 0.86 DPP4 (0.58) SLC6A2SLC6A4TACR1TSHROPRM1
Hydrochloric Acid SCHEMBL8651026 0.83 OPRM1 (0.49) SLC6A2SLC6A4TACR1CYP1A2CYP3A4
SCHEMBL30085024 0.82 CYP1A2 (0.42) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL5096867 0.82 RPS6KB1 (0.52) SLC6A2SLC6A4TACR1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8665660 0.81 OPRM1 (0.48) SLC6A2SLC6A4TACR1CYP1A2CYP3A4
SCHEMBL5110841 0.81 RPS6KB1 (0.51) SLC6A2SLC6A4TACR1CYP1A2CYP3A4
SCHEMBL16461973 0.80 RPS6KB1 (0.50) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL468998 0.79 CYP1A2 (0.62) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL15017817 0.79 CYP1A2 (0.62) SLC6A2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL14438339 0.79 SLC6A2 (0.44) SLC6A2SLC6A4TACR1SLC6A3CHRNA1

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
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 SLC6A2 1134/4885SLC6A4 458/4885TACR1 80/4885

“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.