SCHEMBL17544103

SCHEMBL17544103

O=C1CCc2c(OCC3(O)CCN(c4ccc(Cl)cc4F)CC3)ccc(Cl)c2N1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.40
TRPM8 Q7Z2W7 2/20 0.36
GRM5 P41594 1/20 0.35
CRBN Q96SW2 6/20 0.34
DDB1 Q16531 4/20 0.34
KCNH2 Q12809 1/20 0.34
IKZF3 Q9UKT9 5/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL17543156 0.95 TRPV4 (0.39) TRPV4TRPM8GRM5CRBNDDB1
SCHEMBL17543346 0.93 CRBN (0.41) TRPV4CRBNDDB1IKZF3DRD2
SCHEMBL17542672 0.92 TRPV4 (0.43) TRPV4TRPM8CRBNDDB1KCNH2
SCHEMBL17543381 0.92 ADRA1B (0.41) TRPV4TRPM8ADRA1DADRA1AADRA1B
SCHEMBL17543139 0.91 TRPV4 (0.34) TRPV4CRBNDDB1IKZF3DRD2
SCHEMBL17543057 0.91 TRPV4 (0.39) TRPV4TRPM8GRM5CRBNDDB1
SCHEMBL17542718 0.90 TRPV4 (0.38) TRPV4TRPM8GRM5CRBNDDB1
SCHEMBL17543786 0.90 TRPV4 (0.38) TRPV4TRPM8GRM5CRBNDDB1
SCHEMBL17543472 0.90 TRPV4 (0.35) TRPV4TRPM8CRBNDDB1
SCHEMBL17542898 0.89 TRPV4 (0.38) TRPV4TRPM8GRM5CRBNDDB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795117-B Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2020-06-26 CN disclosed
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 US disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 US disclosed
EP-3186240-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS Otsuka Pharmaceutical Co., Ltd. (JP) 2017-07-05 EP disclosed
WO-2016031255-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-03-03 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 (4 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD TRPV4 3083/4885TRPM8 2611/4885GRM5 2762/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD TRPV4 3083/4885TRPM8 2611/4885GRM5 2762/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD TRPV4 3083/4885TRPM8 2611/4885GRM5 2762/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD TRPV4 3083/4885TRPM8 2611/4885GRM5 2762/4885

“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.