SCHEMBL412090

SCHEMBL412090

CC(=O)CCn1cccn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.42
FDPS P14324 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
DAO P14920 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTT P42858 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL21996470 0.89 THRB (0.43) THRBLMNAPOLBKMT2AFDPS
SCHEMBL12863692 0.87 THRB (0.42) THRBLMNAPOLBKMT2AFDPS
SCHEMBL13096788 0.82 THRB (0.47) THRBLMNAPOLBKMT2AFDPS
SCHEMBL10401539 0.82 THRB (0.47) THRBLMNAPOLBKMT2AFDPS
SCHEMBL4663218 0.82 EGLN3 (0.50) THRBLMNAPOLBKMT2AFDPS
SCHEMBL24930971 0.80 THRB (0.44) THRBLMNAPOLBKMT2AFDPS
SCHEMBL1178459 0.80 LMNA (0.45) THRBLMNAPOLBKMT2AFDPS
Hydrochloric Acid SCHEMBL17337686 0.80 EGLN3 (0.48) THRBLMNAPOLBKMT2AFDPS
SCHEMBL13101018 0.79 LMNA (0.45) THRBLMNAPOLBKMT2AFDPS
SCHEMBL16745735 0.79 THRB (0.55) THRBLMNAPOLBKMT2AFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198031-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-06-21 EP disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
EP-3497094-B1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-02-15 EP disclosed
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
US-20210002256-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-01-07 US disclosed
EP-2935302-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-06-06 EP disclosed
EP-2545055-B1 Imidazo[1,2-a]pyrazine derivatives and their use for the prevention or treatment of neurological, psychiatric and metabolic disorders and diseases JANSSEN PHARMACEUTICA NV (BE) 2017-08-09 EP disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-08-18 US disclosed
EP-1971576-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2008-09-24 EP disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 US disclosed
WO-2007072201-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2007-06-28 WO disclosed
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors INCYTE CORPORATION 2007-06-28 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
US-6432980-B1 PREVENTION OF COCCIDIOSIS IN POULTRY MERCK & CO., INC. 2002-08-13 US disclosed
US-5861532-A Solid-phase synthesis of N-alkyl amides CHIRON CORPORATION (US) 1999-01-19 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 (8 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 THRB 3275/4885LMNA 2313/4885POLB 1231/4885
US-20210002256-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 THRB 767/4885LMNA 1426/4885POLB 1652/4885
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 THRB 4143/4885LMNA 3328/4885POLB 3812/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 THRB 3657/4885LMNA 1458/4885POLB 1069/4885
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C THRB 111/4885LMNA 999/4885POLB 2341/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 THRB 4143/4885LMNA 3328/4885POLB 3812/4885
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors CCR5, CCR2, ACKR3 THRB 1971/4885LMNA 4461/4885POLB 3304/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 THRB 4182/4885LMNA 1546/4885POLB 870/4885

“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.