SCHEMBL1331652

SCHEMBL1331652

COC(=O)c1ccc(N2CCN(C)CC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.73
NPC1 O15118 1/20 0.73
KMT2A Q03164 1/20 0.73
CRBN Q96SW2 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
OGA O60502 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
DDB1 Q16531 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
MAPK1 P28482 1/20 0.51
HDAC2 Q92769 2/20 0.51
MAPT P10636 1/20 0.50
HDAC3 O15379 1/20 0.50
P2RY12 Q9H244 1/20 0.50
AOC3 Q16853 1/20 0.49

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
SCHEMBL5202526 0.95 RAB9A (0.67) RAB9ANPC1KMT2ACRBNL3MBTL1
SCHEMBL3895677 0.88 RAB9A (0.72) RAB9ANPC1KMT2ACRBNL3MBTL1
SCHEMBL7326778 0.87 RAB9A (0.71) RAB9ANPC1KMT2ACRBNL3MBTL1
SCHEMBL3099987 0.86 RAB9A (0.66) RAB9ANPC1KMT2ACRBNL3MBTL1
SCHEMBL20339428 0.86 KMT2A (0.74) RAB9ANPC1KMT2ACRBNL3MBTL1
SCHEMBL9205767 0.85 HRH3 (0.58) RAB9ANPC1KMT2ACRBNL3MBTL1
SCHEMBL9210857 0.85 P2RY12 (0.65) RAB9ANPC1KMT2AL3MBTL1OGA
SCHEMBL9211056 0.85 KMT2A (1.00) RAB9ANPC1KMT2ACRBNOGA
SCHEMBL7528163 0.85 KMT2A (0.68) RAB9ANPC1KMT2ACRBNL3MBTL1
SCHEMBL21776925 0.84 RAB9A (0.59) RAB9ANPC1KMT2AL3MBTL1SMN1; SMN2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2022-09-08 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
EP-3544969-A1 PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS Regenacy Pharmaceuticals, LLC (US) 2019-10-02 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
EP-0885886-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN SEIFUN GROUP INC (JP) 2002-05-29 EP disclosed
US-5972943-A N-(NITRIC ACID,C14-18 ALKYL ESTER)-6-(1-(OPTIONALLY 4-SUBSTITUTED PIPERAZINYL)) PYRIDINE-3-CARBOXAMIDES; METHOD OF SYNTHESIS; ADMINISTERING TO TREAT CEREBRAL EDEMA; NO HYPOTENSIVE SIDE EFFECT NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-10-26 US disclosed
EP-0885886-A1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-23 EP disclosed
EP-0385351-B1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO (JP) 1995-01-11 EP disclosed
EP-0385350-B1 Pyridinecarboxylic acid amide derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO (JP) 1994-11-30 EP disclosed
US-5025012-A Cardiovascular disorders; antiischemic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-18 US disclosed
US-4994456-A Hypotensive agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-02-19 US disclosed
EP-0385351-A1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 EP disclosed
EP-0385350-A1 Pyridinecarboxylic acid amide derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 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 (5 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-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 RAB9A 3228/4885NPC1 512/4885KMT2A 130/4885
US-20220281833-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 RAB9A 3128/4885NPC1 623/4885KMT2A 92/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 RAB9A 3298/4885NPC1 774/4885KMT2A 79/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 RAB9A 3128/4885NPC1 623/4885KMT2A 92/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 RAB9A 2395/4885NPC1 512/4885KMT2A 103/4885

“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.