SCHEMBL17543453

SCHEMBL17543453

COc1ccc(CN2C(=O)CCc3c(OCC4CCN(c5ccc(Cl)cc5F)CC4O)ccc(F)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ TRPV4 Q9HBA0 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ P2RX3 P56373 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL17543455 1.00 PTGDR2 (0.35) PTGDR2HTR1AHTR7TRPV4ALDH1A1
SCHEMBL17543301 0.95 TRPV4 (0.36) PTGDR2TRPV4ALDH1A1GRIN2CTP53
SCHEMBL17543299 0.95 TRPV4 (0.36) PTGDR2TRPV4ALDH1A1GRIN2CTP53
SCHEMBL17543023 0.92 GRIN2C (0.36) TRPV4GRIN2CACACB
SCHEMBL17543021 0.92 GRIN2C (0.36) TRPV4GRIN2CACACB
SCHEMBL17543339 0.84 KDM4E (0.35) PTGDR2ALDH1A1
SCHEMBL17543341 0.84 KDM4E (0.35) PTGDR2ALDH1A1
SCHEMBL17543627 0.84 PTGDR2 (0.35) PTGDR2HTR1AHTR7TRPV4ALDH1A1
SCHEMBL17543626 0.84 PTGDR2 (0.35) PTGDR2HTR1AHTR7TRPV4ALDH1A1
Hydrochloric Acid SCHEMBL17544178 0.80 CHRM1 (0.38) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGDR2 3993/4885HTR1A 4686/4885HTR7 3777/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD PTGDR2 3993/4885HTR1A 4686/4885HTR7 3777/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885HTR1A 4686/4885HTR7 3777/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD PTGDR2 3993/4885HTR1A 4686/4885HTR7 3777/4885

“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.

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