SCHEMBL1002267

SCHEMBL1002267

c1ccc(OCC2CNCCO2)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
SCHEMBL2925939 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
CN-104352492-B Extend enzyme inhibitor using arylsulfonyl derivatives as the long chain fatty acids of active ingredient MSD K.K.公司 2017-12-05 CN disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
WO-2015128698-A1 SUBSTITUTED HETEROCYCLIC AMINE DERIVATIVES AS MULTIKINASE INHIBITORS FOR THE TREATMENT OF CANCER Piramal Enterprises Limited (IN) 2015-09-03 WO disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
EP-1248521-B1 PEST CONTROL AGENTS / DEPSIPEPTIDES BAYER CROPSCIENCE AG (DE) 2005-03-30 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-20030143254-A1 Pest control agents/depsipeptides BAYER AKTIENGESELLSCHAFT (DE) 2003-07-31 US disclosed
EP-1248521-A1 PEST CONTROL AGENTS / DEPSIPEPTIDES Bayer Aktiengesellschaft (DE) 2002-10-16 EP disclosed
WO-2001045512-A1 PEST CONTROL AGENTS / DEPSIPEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 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
US-3806595-A METHOD OF PRODUCING ANOREXIA ICI LTD 1974-04-23 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 (3 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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE HTR2A 4528/4885SLC6A4 4641/4885SLC6A2 4635/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 HTR2A 4081/4885SLC6A4 3854/4885SLC6A2 3863/4885
US-20030143254-A1 Pest control agents/depsipeptides CTRL, RRP12, VIP HTR2A 4303/4885SLC6A4 4872/4885SLC6A2 4855/4885

“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.