SCHEMBL495878

SCHEMBL495878

O=C(O)N[C@H](Cc1ccccc1)[C@@H]1CO1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.40
CTRB1 P17538 2/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3508763 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL2438588 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL21979446 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL2437801 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL5930119 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL23092514 1.00 NPC1 (0.44) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL3169175 0.88 SLC7A5 (0.42) KMT2ASLC7A5L3MBTL1
SCHEMBL13536230 0.88 CTRB1 (0.51) NPC1RAB9AKMT2ACTRB1L3MBTL1
SCHEMBL13536301 0.88 NPC1 (0.41) NPC1RAB9ACYP1A2KMT2AEPHX1
SCHEMBL12195833 0.88 NPC1 (0.41) NPC1RAB9ACYP1A2KMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845724-B2 USP30 inhibitors and uses thereof VINCERE BIOSCIENCES, INC. (US) 2023-12-19 US disclosed
US-20220315531-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. 2022-10-06 US disclosed
CN-115038688-A USP30 inhibitors and uses thereof 文森雷生物科学股份有限公司 2022-09-09 CN disclosed
EP-4028385-A1 USP30 INHIBITORS AND USES THEREOF Vincere Biosciences, Inc. (US) 2022-07-20 EP disclosed
WO-2021050992-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. (US) 2021-03-18 WO disclosed
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2185561-B1 1,2,3,4-tetrahydropyrrolo(1,2-a)pyrazine-6-carboxamide and 2,3,4,5-tetrahydropyrrolo(1,2-a)-diazepine-7-carboxamide derivatives, preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2011-06-15 EP disclosed
US-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185561-A2 1,2,3,4-TETRAHYDROPYRROLOÝ1,2-A¨PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLOÝ1,2-A¨Ý1,4¨-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044007-A2 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-A][1,4]-DIAZÉPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 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 (4 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 NPC1 383/4885RAB9A 1827/4885CYP1A2 547/4885
US-20100197668-A1 1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE AND 2,3,4,5-TETRAHYDROPYRROLO[1,2-a][1,4]-DIAZEPINE-7-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CNR2, GRIK5, CNR1 NPC1 2166/4885RAB9A 3364/4885CYP1A2 119/4885
US-11845724-B2 USP30 inhibitors and uses thereof USP30, USP28, USP1 NPC1 1369/4885RAB9A 2531/4885CYP1A2 3724/4885
US-20220315531-A1 USP30 INHIBITORS AND USES THEREOF USP30, USP28, USP1 NPC1 1369/4885RAB9A 2531/4885CYP1A2 3724/4885

“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.