SCHEMBL5899751

SCHEMBL5899751

NCC1(C(=O)O)CC1Cc1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.37
DPP7 Q9UHL4 7/20 0.37
DPP9 Q86TI2 6/20 0.37
RIPK1 Q13546 2/20 0.36
DPP8 Q6V1X1 5/20 0.36
SIGMAR1 Q99720 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5899791 0.89 TRPA1 (0.40) DPP4DPP7RIPK1SIGMAR1ALDH1A1
SCHEMBL5899748 0.87 DPP4 (0.36) DPP4DPP7DPP9DPP8SIGMAR1
SCHEMBL5899706 0.83 TAAR1 (0.39) ALDH1A1
SCHEMBL5899772 0.80 TRPA1 (0.43) GRM2GRM3
SCHEMBL5899756 0.79 HTR2A (0.41)
SCHEMBL5899736 0.78 FFAR4 (0.37) DPP4RIPK1ALDH1A1
SCHEMBL5899610 0.78 SLC1A1 (0.41) SIGMAR1GRM2GRM3
SCHEMBL5899686 0.77 GRM2 (0.34) SIGMAR1GRM2GRM3
SCHEMBL5899618 0.76 EPHX1 (0.35) SIGMAR1GRM2GRM3
SCHEMBL5899779 0.75 KDM1A (0.44) DPP4

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-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US disclosed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 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-20040147608-A1 Cyclopropyl beta-amino acid derivatives CACNA1S, CACNA1D, CACNA1B DPP4 1351/4885DPP7 1567/4885DPP9 2685/4885

“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.