SCHEMBL5069154

SCHEMBL5069154

Cc1nn(C)c2ncc(C(=O)NCCNC(=O)O)cc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPR P35270 8/20 0.52
POLB P06746 1/20 0.52
CCR2 P41597 1/20 0.48
CCR5 P51681 1/20 0.48
NR3C1 P04150 5/20 0.44
NAMPT P43490 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL8574855 0.82 SPR (0.61) SPRPOLBCCR2CCR5NR3C1
SCHEMBL5070874 0.81 SPR (0.61) SPRPOLBCCR2CCR5NR3C1
SCHEMBL5961520 0.76 SPR (0.60) SPRPOLBCCR2CCR5LMNA
SCHEMBL7553541 0.76 SPR (0.60) SPRPOLBCCR2CCR5NR3C1
SCHEMBL20413616 0.76 SPR (0.59) SPRPOLBCCR2CCR5NR3C1
SCHEMBL17980518 0.74 NR3C1 (0.71) SPRPOLBCCR2CCR5NR3C1
SCHEMBL7079541 0.73 CCR2 (0.68) SPRPOLBCCR2CCR5NR3C1
SCHEMBL17980531 0.72 NR3C1 (0.57) SPRPOLBCCR2CCR5NR3C1
SCHEMBL5961483 0.72 CCR2 (0.66) SPRPOLBCCR2CCR5NR3C1
SCHEMBL17980879 0.72 CCR2 (0.63) SPRPOLBCCR2CCR5NR3C1

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-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 SPR 121/4885POLB 4293/4885CCR2 318/4885

“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.