SCHEMBL1017246

SCHEMBL1017246

O=C(OCc1ccccc1)N1Cc2ccc(CO)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 16/20 0.63
SIGMAR1 Q99720 16/20 0.63
HRH1 P35367 5/20 0.63
HRH3 Q9Y5N1 5/20 0.63
HRH2 P25021 4/20 0.63
HTR1A P08908 3/20 0.63
ADRA2C P18825 2/20 0.63
ADRA2A P08913 2/20 0.63
ADRA2B P18089 2/20 0.63
HTR2A P28223 2/20 0.63
HTR2C P28335 2/20 0.63
HTR2B P41595 2/20 0.63
DRD1 P21728 1/20 0.63
HTR1B P28222 1/20 0.63
HTR1E P28566 1/20 0.63
SLC6A4 P31645 1/20 0.63
NAMPT P43490 2/20 0.56
ADRB1 P08588 1/20 0.55
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53

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
SCHEMBL31129828 0.88 TMEM97 (0.62) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL15861877 0.88 TMEM97 (0.62) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL15861873 0.87 TMEM97 (0.61) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL21800344 0.86 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL324086 0.85 TMEM97 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL15862044 0.85 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL15862185 0.85 TMEM97 (0.58) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1506610 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1027341 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31129893 0.84 TMEM97 (0.63) 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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2073803-B1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LTD (GB) 2018-09-19 EP disclosed
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
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-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-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
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-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY 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.