SCHEMBL2925939

SCHEMBL2925939

c1ccc(OC[C@@H]2CNCCO2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.65
SLC6A4 P31645 4/20 0.65
SLC6A2 P23975 2/20 0.65
HTR2B P41595 2/20 0.65
SLC6A3 Q01959 2/20 0.65
ADRB2 P07550 1/20 0.65
HTR1A P08908 1/20 0.65
ADRA1A P35348 1/20 0.65
ADRA2C P18825 1/20 0.65
TDP1 Q9NUW8 1/20 0.59
HRH1 P35367 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR3A P46098 1/20 0.53
HRH3 Q9Y5N1 1/20 0.49
PDK1 Q15118 2/20 0.47
DRD4 P21917 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1D P28221 1/20 0.45

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
SCHEMBL1002267 1.00 HTR2A (0.65) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL2924439 1.00 HTR2A (0.65) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL21254603 0.91 HTR2A (0.59) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL31381402 0.89 CYP3A4 (0.60) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL26668483 0.89 CYP3A4 (0.60) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL26668476 0.89 CYP3A4 (0.60) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL15287592 0.87 SLC6A4 (0.55) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL15284978 0.87 SLC6A4 (0.55) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL3195707 0.86 SLC6A4 (0.71) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL3195689 0.86 SLC6A4 (0.71) HTR2ASLC6A4SLC6A2HTR2BSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015128698-A1 SUBSTITUTED HETEROCYCLIC AMINE DERIVATIVES AS MULTIKINASE INHIBITORS FOR THE TREATMENT OF CANCER Piramal Enterprises Limited (IN) 2015-09-03 WO disclosed
EP-2699568-A1 A CRYSTALLINE FORM OF A SALT OF A MORPHOLINO SULFONYL INDOLE DERIVATIVE AND A PROCESS FOR ITS PREPARATION Piramal Enterprises Limited (IN) 2014-02-26 EP disclosed
EP-2699567-A1 INSULIN-LIKE GROWTH FACTOR-1 RECEPTOR INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-02-26 EP disclosed
US-20140046059-A1 PROCESS FOR THE PREPARATION OF MORPHOLINO SULFONYL INDOLE DERIVATIVES Piramal Enterprises Limited (IN) 2014-02-13 US disclosed
US-20140045832-A1 Insulin-Like Growth Factor-1 Receptor Inhibitors Piramal Enterprises Limited (IN) 2014-02-13 US disclosed
US-20140046059-A1 PROCESS FOR THE PREPARATION OF MORPHOLINO SULFONYL INDOLE DERIVATIVES Piramal Enterprises Limited (IN) 2014-02-13 US disclosed
US-20140045847-A1 CRYSTALLINE FORM OF A SALT OF A MORPHOLINO SULFONYL INDOLE DERIVATIVE AND A PROCESS FOR ITS PREPARATION Piramal Enterprises Limited (IN) 2014-02-13 US disclosed
US-20140045832-A1 Insulin-Like Growth Factor-1 Receptor Inhibitors Piramal Enterprises Limited (IN) 2014-02-13 US disclosed
US-20140045847-A1 CRYSTALLINE FORM OF A SALT OF A MORPHOLINO SULFONYL INDOLE DERIVATIVE AND A PROCESS FOR ITS PREPARATION Piramal Enterprises Limited (IN) 2014-02-13 US disclosed
US-20140045847-A1 CRYSTALLINE FORM OF A SALT OF A MORPHOLINO SULFONYL INDOLE DERIVATIVE AND A PROCESS FOR ITS PREPARATION Piramal Enterprises Limited (IN) 2014-02-13 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 WO disclosed
US-5614518-A Morpholine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME LTD. (GB) 1997-03-25 US disclosed
EP-0730593-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-09-11 EP disclosed
WO-1995014690-A1 MORPHOLINE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 WO 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 (6 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-20140045847-A1 CRYSTALLINE FORM OF A SALT OF A MORPHOLINO SULFONYL INDOLE DERIVATIVE AND A PROCESS FOR ITS PREPARATION INSR, INSRR, IRS1 HTR2A 434/4885SLC6A4 98/4885SLC6A2 864/4885
US-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 HTR2A 582/4885SLC6A4 460/4885SLC6A2 1229/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 HTR2A 4081/4885SLC6A4 3854/4885SLC6A2 3863/4885
US-20140045832-A1 Insulin-Like Growth Factor-1 Receptor Inhibitors IGF1R, IGFBP1, INSR HTR2A 685/4885SLC6A4 710/4885SLC6A2 2487/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 HTR2A 582/4885SLC6A4 460/4885SLC6A2 1229/4885
US-20140046059-A1 PROCESS FOR THE PREPARATION OF MORPHOLINO SULFONYL INDOLE DERIVATIVES INSR, IGF1R, GPR119 HTR2A 484/4885SLC6A4 266/4885SLC6A2 1330/4885

“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.