SCHEMBL6362149

SCHEMBL6362149

CN[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
BTK Q06187 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTRA1 Q92743 1/20 0.37
NR1H2 P55055 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
ATM Q13315 1/20 0.36
EPHX1 P07099 1/20 0.35
CCR2 P41597 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL6365865 1.00 HSD17B10 (0.40) HSD17B10BTKCYP1A2POLBCYP3A4
SCHEMBL10594861 0.87 BTK (0.41) HSD17B10BTKCYP1A2POLBCYP3A4
SCHEMBL10594866 0.87 BTK (0.41) HSD17B10BTKCYP1A2POLBCYP3A4
SCHEMBL25170559 0.87 HTRA1 (0.39) HSD17B10BTKCYP1A2POLBCYP3A4
SCHEMBL17151232 0.87 HSD17B10 (0.42) HSD17B10BTKCYP1A2POLBCYP3A4
SCHEMBL25170558 0.87 HTRA1 (0.39) HSD17B10BTKCYP1A2POLBCYP3A4
SCHEMBL2279591 0.87 MMP2 (0.41) CYP1A2POLBCYP3A4CYP2C19NR1H2
SCHEMBL7736016 0.85 BTK (0.54) HSD17B10BTKCYP1A2POLBCYP3A4
SCHEMBL7722234 0.85 BTK (0.54) HSD17B10BTKCYP1A2POLBCYP3A4
SCHEMBL25235410 0.85 BTK (0.54) HSD17B10BTKCYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 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-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HSD17B10 1419/4885BTK 3484/4885CYP1A2 1383/4885

“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.