SCHEMBL16838909

SCHEMBL16838909

COc1cnc(Oc2ccc(C3CC3)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 2/20 0.47
▸ MCHR1 Q99705 2/20 0.43
▸ NPBWR1 P48145 1/20 0.43
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TRPV6 Q9H1D0 1/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ ADRA1A P35348 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL16838785 0.85 HAO1 (0.49) HAO1MCHR1NPBWR1SLC6A2SLC6A4
SCHEMBL16838788 0.82 NPBWR1 (0.45) HAO1MCHR1NPBWR1NPC1HTT
SCHEMBL16761981 0.78 HAO1 (0.43) HAO1MCHR1NPBWR1SLC6A2SLC6A4
SCHEMBL16838888 0.77 MEN1 (0.55) HAO1NPC1HTTRAB9ANPSR1
SCHEMBL167849 0.77 TRPV6 (0.46) SLC6A2SLC6A4SLC6A3TRPV6
Hydrochloric Acid SCHEMBL31615873 0.76 HAO1 (0.44) HAO1SLC6A2SLC6A4SLC6A3JAK2
SCHEMBL16761986 0.76 HAO1 (0.41) HAO1MCHR1NPBWR1SLC6A2SLC6A4
SCHEMBL26022605 0.75 HAO1 (0.46) HAO1MCHR1NPBWR1SLC6A2SLC6A4
SCHEMBL16838919 0.75 RAB9A (0.45) HAO1NPBWR1SLC6A2SLC6A4SLC6A3
SCHEMBL16838891 0.75 L3MBTL1 (0.53) HAO1NPBWR1NPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1116/4885MCHR1 2694/4885NPBWR1 897/4885

“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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