SCHEMBL17542956

SCHEMBL17542956

COc1ccc(CN2C(=O)CCc3c(OCC4(N)CCN(c5ccc(C(F)(F)F)cc5F)CC4)ccc(F)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ SRPK1 Q96SB4 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CHRM5 P08912 3/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CXCR3 P49682 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ EDNRB P24530 1/20 0.32
▸ EDNRA P25101 1/20 0.32

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
SCHEMBL17543127 0.95 NPBWR1 (0.35) MC4RPDE2ASRPK1DRD2DRD4
SCHEMBL17543610 0.92 DDB1 (0.39) DRD2MEN1KMT2ADDB1CRBN
SCHEMBL17543064 0.91 ALDH1A1 (0.33) CHRM5MEN1KMT2ADDB1CRBN
SCHEMBL17542777 0.90 MEN1 (0.34) CHRM5MEN1KMT2ALMNATP53
SCHEMBL17542966 0.89 KCNH2 (0.39) MC4RSRPK1FFAR4MEN1KMT2A
SCHEMBL17543449 0.89 PTGDR2 (0.34) CHRM5MEN1KMT2ATP53MAPT
SCHEMBL17543489 0.88 DDB1 (0.35) MEN1KMT2ADDB1CRBNLMNA
SCHEMBL17542907 0.88 DDB1 (0.32) MC4RPDE2ASRPK1DRD2DRD4
SCHEMBL17542745 0.87 PTGDR2 (0.35) CHRM5MEN1KMT2ADDB1CRBN
SCHEMBL17543383 0.87 KMT2A (0.38) SRPK1MEN1KMT2ALMNA

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 MC4R 2929/4885PDE2A 4238/4885SRPK1 4538/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD MC4R 2929/4885PDE2A 4238/4885SRPK1 4538/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MC4R 2929/4885PDE2A 4238/4885SRPK1 4538/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MC4R 2929/4885PDE2A 4238/4885SRPK1 4538/4885

“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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