SCHEMBL16761981

SCHEMBL16761981

O=Cc1cnc(Oc2ccc(C3CC3)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ EGLN1 Q9GZT9 3/20 0.38
▸ SCN5A Q14524 2/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ ACACB O00763 3/20 0.33
▸ CASP1 P29466 2/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ ACACA Q13085 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16761723 0.79 ALDH1A1 (0.64) HAO1KDM4EALDH1A1L3MBTL1SLC6A2
SCHEMBL16838909 0.78 HAO1 (0.47) HAO1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL16762093 0.78 L3MBTL1 (0.47) HAO1KDM4EALDH1A1L3MBTL1KCNH2
SCHEMBL16761774 0.78 KDM4E (0.44) KDM4EALDH1A1L3MBTL1SLC6A2SLC6A4
SCHEMBL16762097 0.78 KDM4E (0.62) KDM4EALDH1A1L3MBTL1ACACBLMNA
SCHEMBL24512782 0.78 L3MBTL1 (0.62) KDM4EALDH1A1L3MBTL1
SCHEMBL16761850 0.77 ALDH1A1 (0.56) HAO1KDM4EALDH1A1L3MBTL1EGLN1
SCHEMBL21355057 0.72 KDM4E (0.42) KDM4EALDH1A1L3MBTL1ACACBSMN1; SMN2
SCHEMBL32684974 0.72 KDM4E (0.42) KDM4EALDH1A1L3MBTL1ACACBSMN1; SMN2
SCHEMBL16761986 0.71 HAO1 (0.41) HAO1SLC6A2SLC6A4SLC6A3EGLN1

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
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 — — EP 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 (1 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 HAO1 1116/4885KDM4E 23/4885ALDH1A1 2293/4885

“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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