SCHEMBL17543920

SCHEMBL17543920

OC1CN(c2ccc(Cl)cc2F)CCC12CO2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ CCR2 P41597 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHEK1 O14757 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
SCHEMBL17542993 1.00 KMT2A (0.37) KMT2APHGDHGRM5NOTUMNPC1
SCHEMBL17543280 0.86 NOTUM (0.34) KMT2APHGDHGRM5NOTUMNPC1
SCHEMBL17543943 0.86 NOTUM (0.34) KMT2APHGDHGRM5NOTUMNPC1
SCHEMBL17543279 0.86 NOTUM (0.34) KMT2APHGDHGRM5NOTUMNPC1
SCHEMBL17542889 0.85 ALDH1A1 (0.37) NPC1ALDH1A1GAATSHRCCR2
SCHEMBL17542888 0.85 ALDH1A1 (0.37) NPC1ALDH1A1GAATSHRCCR2
SCHEMBL17543411 0.83 FFAR4 (0.34) —
SCHEMBL17542695 0.83 FFAR4 (0.34) —
SCHEMBL30116237 0.76 SMN1; SMN2 (0.43) KMT2APHGDHGRM5ALDH1A1DRD4
SCHEMBL17542884 0.76 SMN1; SMN2 (0.43) KMT2APHGDHGRM5ALDH1A1DRD4

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 5 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
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
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 (2 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-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KMT2A 2525/4885PHGDH 734/4885GRM5 2762/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KMT2A 2525/4885PHGDH 734/4885GRM5 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.

Send feedback