SCHEMBL5361763

SCHEMBL5361763

CCOC(=O)CNCCN

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
GAA P10253 3/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
LTA4H P09960 4/20 0.46
TRPA1 O75762 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALOX15 P16050 1/20 0.39
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPID Q08752 1/20 0.38
PPIG Q13427 1/20 0.38

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
Hydrochloric Acid SCHEMBL3135179 0.98 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL24597083 0.89 MAOA (0.56) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11232987 0.84 ALDH1A1 (0.41) CYP1A2ALDH1A1MAPTHPGDKMT2A
SCHEMBL28650758 0.83 CYP1A2 (0.56) CYP1A2GAAMGAMSIMGAM2
SCHEMBL6074966 0.83 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL4856528 0.83 GAA (0.54) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11223483 0.82 NAAA (0.46) ALDH1A1MAPTHPGDLTA4H
SCHEMBL2242712 0.82 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL391332 0.82 GAA (0.65) CYP1A2GAAMGAMSIMGAM2
SCHEMBL285776 0.82 LTA4H (0.50) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 US disclosed
US-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2021-09-09 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
WO-2020160707-A1 ALKYLBORONIC ACIDS AS ARGINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-08-13 WO disclosed
EP-3089986-A1 CRYSTALLINE SALTS OF (Z)-O-OCTADEC-9-EN-1-YL O,O-DIHYDROGEN PHOSPHOROTHIOATE Rxbio Inc. (US) 2016-11-09 EP disclosed
WO-2015102856-A1 CRYSTALLINE SALTS OF (Z)-O-OCTADEC-9-EN-1-YL O,O-DIHYDROGEN PHOSPHOROTHIOATE RXBIO INC. (US) 2015-07-09 WO disclosed
WO-2009067233-A1 BETA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-28 WO disclosed
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents NEUROMED TECHNOLOGIES INC. 2006-04-20 US disclosed
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents NEUROMED TECHNOLOGIES INC. 2006-04-20 US disclosed
US-20040087792-A1 Tryptase-inhibitors ALTANA PHARMA AG (DE) 2004-05-06 US disclosed
EP-1370518-A2 TRYPTASE-INHIBITORS ALTANA Pharma AG (DE) 2003-12-17 EP disclosed
WO-2002074733-A2 TRYPTASE-INHIBITORS ALTANA PHARMA AG (DE) 2002-09-26 WO disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 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-20040087792-A1 Tryptase-inhibitors TPSAB1, TPSB2, TPSG1 CYP1A2 405/4885GAA 192/4885MGAM 334/4885
US-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV CYP1A2 4581/4885GAA 388/4885MGAM 892/4885
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents CACNA1D, CACNA1E, CACNA1B CYP1A2 656/4885GAA 566/4885MGAM 1768/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV CYP1A2 4680/4885GAA 359/4885MGAM 855/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL CYP1A2 3212/4885GAA 345/4885MGAM 153/4885

“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.