SCHEMBL16528528

SCHEMBL16528528

CN(C[C@H]1CCCN1C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ DPP4 P27487 3/20 0.37
▸ DPP8 Q6V1X1 3/20 0.37
▸ DPP9 Q86TI2 3/20 0.37
▸ DPP7 Q9UHL4 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ DDR1 Q08345 2/20 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
SCHEMBL31296240 1.00 HSD17B10 (0.38) HSD17B10CYP2D6DPP4DPP8DPP9
SCHEMBL25193443 1.00 HSD17B10 (0.38) HSD17B10CYP2D6DPP4DPP8DPP9
SCHEMBL28464173 0.86 HSD17B10 (0.36) HSD17B10SMN1; SMN2HTR2CSLC6A4POLB
SCHEMBL34474623 0.79 PREP (0.47) HTR2CSLC6A4L3MBTL1LMNA
SCHEMBL30511005 0.79 PREP (0.47) HTR2CSLC6A4L3MBTL1LMNA
SCHEMBL31509972 0.78 HSD17B10 (0.42) HSD17B10SMN1; SMN2ALDH1A1
SCHEMBL29286314 0.78 CA14 (0.35) HSD17B10CYP2D6DPP4DPP8DPP9
SCHEMBL3295966 0.77 OPRK1 (0.46) HSD17B10DPP4POLBL3MBTL1LMNA
SCHEMBL5412332 0.77 OPRK1 (0.46) HSD17B10DPP4POLBL3MBTL1LMNA
SCHEMBL5412325 0.77 OPRK1 (0.46) HSD17B10DPP4POLBL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842939-B1 BENZAMIDE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9695118-B2 Benzamide derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-07-04 — — US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 — — US disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 — — EP disclosed
US-20150152047-A1 BENZAMIDE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-06-04 — — US disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 — — US disclosed
EP-2842939-A1 BENZAMIDE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 — — EP disclosed
EP-2842946-A1 QUINAZOLINEDIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 — — 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 (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-20150152047-A1 BENZAMIDE DERIVATIVE CYP3A5, HDAC6, BRD1 HSD17B10 923/4885CYP2D6 79/4885DPP4 124/4885
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE PPARD, SLC5A2, PPARG HSD17B10 246/4885CYP2D6 102/4885DPP4 10/4885

“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.

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