SCHEMBL383293

SCHEMBL383293

CN1CCN(c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.62
SIGMAR1 Q99720 8/20 0.62
HRH1 P35367 3/20 0.62
HRH3 Q9Y5N1 3/20 0.62
HRH2 P25021 2/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD1 P21728 1/20 0.62
HTR1B P28222 1/20 0.62
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR1E P28566 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR2B P41595 1/20 0.62
HDAC1 Q13547 1/20 0.57
NAMPT P43490 1/20 0.55
ESR2 Q92731 1/20 0.54
ABHD6 Q9BV23 4/20 0.54

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
SCHEMBL38652842 0.91 ABHD6 (0.62) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL3873145 0.91 ABHD6 (0.65) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31070584 0.90 ABHD6 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL3878092 0.89 ABHD6 (0.68) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL2809581 0.87 ABHD6 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31070494 0.86 HDAC1 (0.54) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL3876461 0.85 ABHD6 (0.53) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL14959461 0.85 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL3880350 0.84 HDAC1 (0.52) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL12187763 0.83 TMEM97 (0.74) 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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-09-09 US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 US disclosed
US-10662159-B2 ABHD6 and dual ABHD6/MGL inhibitors and their uses MAKSCIENTIFIC, LLC (US) 2020-05-26 US disclosed
US-20190152917-A1 ABHD6 AND DUAL ABHD6/MGL INHIBITORS AND THEIR USES MAKSCIENTIFIC, LLC 2019-05-23 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
WO-2008044029-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
EP-1877379-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-01-16 EP disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 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 (12 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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 TMEM97 568/4885SIGMAR1 58/4885HRH1 76/4885
US-10662159-B2 ABHD6 and dual ABHD6/MGL inhibitors and their uses ABHD6, FAAH, FAAH2 TMEM97 821/4885SIGMAR1 1648/4885HRH1 59/4885
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 TMEM97 579/4885SIGMAR1 1416/4885HRH1 427/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 TMEM97 2415/4885SIGMAR1 861/4885HRH1 3209/4885
US-20190152917-A1 ABHD6 AND DUAL ABHD6/MGL INHIBITORS AND THEIR USES ABHD6, FAAH, FAAH2 TMEM97 821/4885SIGMAR1 1648/4885HRH1 59/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 TMEM97 550/4885SIGMAR1 57/4885HRH1 76/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 TMEM97 2014/4885SIGMAR1 4365/4885HRH1 1711/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 TMEM97 579/4885SIGMAR1 1416/4885HRH1 427/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 TMEM97 579/4885SIGMAR1 1416/4885HRH1 427/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 TMEM97 579/4885SIGMAR1 1416/4885HRH1 427/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 TMEM97 579/4885SIGMAR1 1416/4885HRH1 427/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 TMEM97 2014/4885SIGMAR1 4365/4885HRH1 1711/4885

“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.