SCHEMBL4872735

SCHEMBL4872735

CCC1c2nccnc2CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.35
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4775918 0.81 GPR119 (0.38) TRPM8KDM4E
SCHEMBL4771243 0.81 SMN1; SMN2 (0.41) KDM4E
SCHEMBL3275456 0.71 AKR1C4 (0.31)
SCHEMBL5625371 0.71 AKR1C4 (0.31)
Trifluoroacetic Acid SCHEMBL7572001 0.69 AOC3 (0.43) P2RX7KDM4E
SCHEMBL28449496 0.65 MTNR1B (0.32)
SCHEMBL28456899 0.64 MTNR1B (0.31)
SCHEMBL7571934 0.64 AOC3 (0.46) KDM4E
SCHEMBL1582318 0.62 OPRK1 (0.35)
SCHEMBL10849119 0.61 GRM1 (0.47) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 TRPM8 4002/4885P2RX7 1401/4885KDM4E 497/4885

“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.