SCHEMBL17543777

SCHEMBL17543777

COc1cc(F)c(N2CCC(=O)CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 3/20 0.40
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
PKM P14618 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 3/20 0.36
NFE2L2 Q16236 1/20 0.36
CCR4 P51679 2/20 0.35
ADRB1 P08588 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34

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
SCHEMBL17543656 0.82 LMNA (0.37) ALDH1A1KMT2ACCR4
SCHEMBL17542683 0.81 ALDH1A1 (0.37) ALDH1A1KMT2APKMPDE3BPDE3A
SCHEMBL12684538 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2CCR4PDE3B
SCHEMBL17543544 0.80 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2PDE3BPDE3A
SCHEMBL17543576 0.79 ALDH1A1 (0.55) CPS1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14922715 0.79 CCR4 (0.46) CPS1KMT2ATAAR1CCR4
SCHEMBL14922725 0.77 ADRB1 (0.61) ALDH1A1ADRB1
SCHEMBL17893775 0.77 ADRB1 (0.47) ALDH1A1ADRB1
SCHEMBL5622837 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2PDE3BPDE3A
SCHEMBL17543135 0.77 KMT2A (0.41) ALDH1A1KMT2AADRB1PDE3BPDE3A

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 8 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
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 EP 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 CPS1 975/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CPS1 975/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CPS1 975/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CPS1 975/4885ALDH1A1 1458/4885KMT2A 2525/4885

“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.