SCHEMBL1019838

SCHEMBL1019838

CN1CCN(Cc2ccc3c(c2)CN(C(=O)OCc2ccccc2)C3)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 16/20 0.71
SIGMAR1 Q99720 16/20 0.71
HRH1 P35367 6/20 0.71
HRH3 Q9Y5N1 5/20 0.71
HRH2 P25021 5/20 0.71
HTR1A P08908 3/20 0.71
HTR2C P28335 3/20 0.71
HTR1E P28566 3/20 0.71
ADRA2C P18825 2/20 0.71
ADRA2A P08913 2/20 0.71
ADRA2B P18089 2/20 0.71
HTR1B P28222 2/20 0.71
HTR2A P28223 2/20 0.71
HTR2B P41595 2/20 0.71
DRD1 P21728 1/20 0.71
SLC6A4 P31645 1/20 0.71
ADRB1 P08588 1/20 0.59
SLC6A2 P23975 2/20 0.59
CHRM1 P11229 1/20 0.59
ROCK1 Q13464 1/20 0.55

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 SCHEMBL1072875 0.99 TMEM97 (0.69) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL29974284 0.87 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL23673943 0.87 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL22529537 0.87 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL24913970 0.87 SIGMAR1 (0.57) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL19521478 0.83 TMEM97 (1.00) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1017246 0.82 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL4557635 0.81 HSP90AA1 (0.62) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL30091915 0.81 SIGMAR1 (0.54) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL29168583 0.81 SIGMAR1 (0.54) TMEM97SIGMAR1HRH1HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169117-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUTED PHENYL - (1,3-DIHYDRO-ISOINDOL-2-YL) - METHANONE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
EP-2546233-B1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2018-02-21 EP disclosed
EP-2546233-B1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2018-02-21 EP disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
EP-3119398-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUED PHENYL- (1, 3-DIHYDRO-ISOINDOL-2-YL) -METHANONE Otsuka Pharmaceutical Co., Ltd. (JP) 2017-01-25 EP disclosed
US-9428439-B2 Hydrobenzamide derivatives as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2016-08-30 US disclosed
WO-2008044029-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044029-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044041-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044027-A2 PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044027-A2 PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044041-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 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 (1 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-20180169117-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUTED PHENYL - (1,3-DIHYDRO-ISOINDOL-2-YL) - METHANONE SDHA, LDHA, ALDH5A1 TMEM97 1340/4885SIGMAR1 1767/4885HRH1 1483/4885

“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.