SCHEMBL280003

SCHEMBL280003

Cc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.75
DRD2 P14416 4/20 0.56
DRD4 P21917 4/20 0.56
DRD3 P35462 4/20 0.56
PKM P14618 3/20 0.52
PARP1 P09874 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
TP53 P04637 2/20 0.50
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL19188092 0.87 MMP12 (0.62) MMP12DRD2DRD4DRD3PKM
SCHEMBL279594 0.86 MMP12 (1.00) MMP12DRD2DRD4DRD3PKM
SCHEMBL12060952 0.83 MMP12 (0.53) MMP12DRD2DRD4DRD3PKM
SCHEMBL12387725 0.81 MMP12 (0.55) MMP12DRD2DRD4DRD3PKM
SCHEMBL9369098 0.79 MMP12 (0.61) MMP12DRD2DRD4DRD3PKM
SCHEMBL15344952 0.79 CYP11B1 (0.55) MMP12DRD2DRD4DRD3CYP11B1
SCHEMBL304249 0.79 DRD4 (0.56) MMP12DRD2DRD4DRD3PARP1
SCHEMBL276741 0.79 MMP12 (0.51) MMP12DRD2DRD4DRD3PKM
SCHEMBL3594625 0.79 MMP12 (0.51) MMP12DRD2DRD4DRD3PKM
SCHEMBL30336661 0.79 MMP12 (0.51) MMP12DRD2DRD4DRD3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US claimed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US claimed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
US-11702407-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
EP-4198034-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Tuojie Biotech (Shanghai) Co., Ltd. (CN) 2023-06-21 EP disclosed
WO-2023101981-A1 SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO disclosed
WO-2023102022-A1 4-PHENYL-2-(1H-1,2,3-TRIAZOL-4-YL)PIPERIDIN-4-OL DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO disclosed
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
WO-2022182839-A1 SPIROCYCLIC LACTAMS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2022-09-01 WO disclosed
US-11384057-B2 Methods for preparing fuel additives BP OIL INTERNATIONAL LIMITED (GB) 2022-07-12 US disclosed
WO-1993000883-A1 USE OF 1,9-DIHYDRO-PYRAZOLO[4,3-B][1,4]-BENZOXAZINES AS COUPLERS FOR OXIDATION DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-01-21 WO disclosed
EP-0509845-A1 (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1992-10-21 EP disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP disclosed
CN-87108354-A 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones 1988-09-21 CN disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 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-11702407-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 MMP12 859/4885DRD2 3870/4885DRD4 4629/4885
US-11384057-B2 Methods for preparing fuel additives POLB, IDH2, TOP2B MMP12 4776/4885DRD2 3358/4885DRD4 3112/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 MMP12 1563/4885DRD2 4443/4885DRD4 4503/4885
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 MMP12 75/4885DRD2 1392/4885DRD4 477/4885

“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.