SCHEMBL3470666

SCHEMBL3470666

NCC(c1ccccc1Cl)N1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.73
MC4R P32245 1/20 0.49
NISCH Q9Y2I1 1/20 0.46
RAB9A P51151 1/20 0.44
PARP1 P09874 1/20 0.43
OPRM1 P35372 4/20 0.42
OPRL1 P41146 4/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
TACR1 P25103 1/20 0.41
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
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
KDM4E B2RXH2 1/20 0.40
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8278787 1.00 DPP4 (0.73) DPP4MC4RNISCHRAB9APARP1
SCHEMBL18598162 0.87 DPP4 (0.57) DPP4MC4RNISCHRAB9APARP1
SCHEMBL8276869 0.85 DPP4 (1.00) DPP4MC4RNISCHOPRM1OPRL1
SCHEMBL1160038 0.85 DPP4 (0.68) DPP4MC4RNISCHOPRM1OPRL1
SCHEMBL19634040 0.84 MC4R (0.55) DPP4MC4RRAB9APARP1OPRM1
SCHEMBL3472246 0.81 DPP4 (0.50) DPP4MC4ROPRM1OPRL1OPRD1
SCHEMBL14451970 0.80 DPP4 (0.50) DPP4MC4RRAB9APARP1OPRM1
SCHEMBL8276878 0.80 DPP4 (0.50) DPP4MC4RRAB9APARP1OPRM1
SCHEMBL9367016 0.80 CYP1A2 (0.64) DPP4MC4RRAB9APARP1OPRM1
SCHEMBL9490353 0.80 DPP4 (0.50) DPP4CYP3A4CYP2D6TSHRCYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US 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 (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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT DPP4 170/4885MC4R 2957/4885NISCH 1359/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 DPP4 2/4885MC4R 58/4885NISCH 832/4885

“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.