SCHEMBL441746

SCHEMBL441746

[c]1nccc(C2NCCO2)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL1521725 0.74 DRD2 (0.40)
SCHEMBL15415293 0.73
SCHEMBL15415063 0.72
SCHEMBL9733118 0.71 ALDH1A1 (0.36) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL8371674 0.69 ALDH1A1 (0.40) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL8533863 0.69 SLC6A2 (0.39) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL15414918 0.68
SCHEMBL27631977 0.67 ALDH1A1 (0.38) ALDH1A1SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL16619789 0.67 HRH4 (0.39) ALDH1A1SLC6A2SLC6A3
SCHEMBL2146147 0.67 PARP1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110123820-B Arginase inhibitors and methods of use thereof 阿斯利康公司 2022-05-31 CN disclosed
CN-112805067-A Indole and azaindole inhibitors of PAD enzymes 百时美施贵宝公司 2021-05-14 CN disclosed
US-20200223871-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2020-07-16 US disclosed
EP-2389352-B1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2019-05-08 EP disclosed
US-20190127395-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2019-05-02 US disclosed
US-10118936-B2 Arginase inhibitors and methods of use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-11-06 US disclosed
US-20180271809-A1 USE OF NICLOSAMIDE IN THE TREATMENT OF P53-DEFICIENT CELLS AGENCY FOR SCIENCE, TECHOLOGY AND RESEARCH (SG) 2018-09-27 US disclosed
EP-3349742-A1 USE OF NICLOSAMIDE IN THE TREATMENT OF P53-DEFICIENT CELLS Agency For Science, Technology And Research (SG) 2018-07-25 EP disclosed
WO-2017048197-A1 USE OF NICLOSAMIDE IN THE TREATMENT OF P53-DEFICIENT CELLS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-03-23 WO disclosed
US-20160194340-A1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2016-07-07 US disclosed
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH (US) 2005-07-07 US disclosed
US-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 US disclosed
US-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 US disclosed
WO-2005037807-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037808-A1 PHENYLPIPERAZINE CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037279-A1 1- 2’ (1, 4’-BIPERIDIN-1’-YL)-1- (PHENYL) -ETHYL CYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VISOMOTOR SYMPTOMS WYETH (US) 2005-04-28 WO disclosed
US-20050085472-A1 Pyrazolo pyrimidine derivatives and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-04-21 US disclosed
WO-2005007085-A2 PYRAZOLO PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-01-27 WO disclosed
CN-1450915-A Matrix metalloproteinase inhibitors as target components in diagnostic agents BRISTOL MYERS SQUIBB CO (US) 2003-10-22 CN 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 (9 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-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use HTR3A, MAOA, FAAH ALDH1A1 445/4885SLC6A2 125/4885ADRA1A 51/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A ALDH1A1 244/4885SLC6A2 108/4885ADRA1A 140/4885
US-20180271809-A1 USE OF NICLOSAMIDE IN THE TREATMENT OF P53-DEFICIENT CELLS TP53, NCSTN, TP53BP1 ALDH1A1 628/4885SLC6A2 3438/4885ADRA1A 4860/4885
US-20050085472-A1 Pyrazolo pyrimidine derivatives and methods of use thereof DPYD, DHODH, DLD ALDH1A1 198/4885SLC6A2 2350/4885ADRA1A 2674/4885
US-20200223871-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 ALDH1A1 407/4885SLC6A2 862/4885ADRA1A 1482/4885
US-10118936-B2 Arginase inhibitors and methods of use ARG1, ARG2, NOS2 ALDH1A1 407/4885SLC6A2 862/4885ADRA1A 1482/4885
US-20160194340-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, NOS2 ALDH1A1 407/4885SLC6A2 862/4885ADRA1A 1482/4885
US-20190127395-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 ALDH1A1 407/4885SLC6A2 862/4885ADRA1A 1482/4885
US-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use HTR5A, PNMT, HTR3A ALDH1A1 1206/4885SLC6A2 49/4885ADRA1A 78/4885

“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.