SCHEMBL17231978

SCHEMBL17231978

O=C(O)C1NCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
PRCP P42785 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
DRD1 P21728 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL30230052 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL186825 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL21689895 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL30229974 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL9608966 1.00 TSHR (0.67) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16992064 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29897763 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL19583552 0.98 TSHR (0.70) TSHRNPSR1SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL19584295 0.90 TSHR (0.56) TSHRNPSR1SLC6A2SLC6A4SLC6A3
SCHEMBL27632988 0.86 TSHR (0.50) TSHRNPSR1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718290-A Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound 苏州爱玛特生物科技有限公司 2020-09-29 CN claimed
CN-101812010-A Isoindolinylcarboxylic ester derivative and preparation method UNIV TIANJIN 2010-08-25 CN claimed
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230212788-A1 NEW METHOD FOR AUTOMATED ON-DEMAND BIOMOLECULAR ARRAY SYNTHESIS Technische Universität Dresden (DE) 2023-07-06 US disclosed
CN-115857219-A Display device 广州华星光电半导体显示技术有限公司 2023-03-28 CN disclosed
EP-4127718-A1 NEW METHOD FOR AUTOMATED ON-DEMAND BIOMOLECULAR ARRAY SYNTHESIS Technische Universität Dresden (DE) 2023-02-08 EP disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 US disclosed
CN-109071525-B Dimeric compounds 豪夫迈·罗氏有限公司 2022-08-19 CN disclosed
CN-101812010-A Isoindolinylcarboxylic ester derivative and preparation method UNIV TIANJIN 2010-08-25 CN disclosed
CN-101801918-A Monoamide derivatives as orexin receptor antagonists HOFFMANN LA ROCHE 2010-08-11 CN disclosed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
CN-101304989-A Carbocyclic fused cyclic amines as inhibitors of the coagulation factor XA HOFFMANN LA ROCHE (CH) 2008-11-12 CN disclosed
CN-101094833-A Tetrapeptide analogs IDUN PHARMACEUTICALS INC (US) 2007-12-26 CN disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 US disclosed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
EP-0093805-B1 OCTAHYDRO-2-(OMEGA-MERCAPTOALKANOYL)3-OXO-1H-ISOINDOLE-1-CARBOXYLIC ACIDS AND ESTERS WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
US-4503043-A HYPOTENSIVES WARNER-LAMBERT COMPANY (US) 1985-03-05 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 (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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 TSHR 668/4885NPSR1 155/4885SLC6A2 3176/4885
US-11535607-B2 Isoindolines as HDAC inhibitors HDAC1, HDAC2, HDAC3 TSHR 2912/4885NPSR1 2275/4885SLC6A2 3114/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 TSHR 3102/4885NPSR1 2469/4885SLC6A2 3199/4885
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 TSHR 3487/4885NPSR1 1564/4885SLC6A2 1946/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TSHR 1187/4885NPSR1 796/4885SLC6A2 1083/4885

“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.