SCHEMBL12827748

SCHEMBL12827748

O=c1[nH]ccnc1CN1CCC(CCC2=C(F)CCS2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.34
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ BCHE P06276 4/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL1475235 0.78 ACHE (0.36) ACHEDRD2DRD4DRD3HRH3
SCHEMBL1477211 0.77 MAOA (0.51) ACHEDRD2DRD4DRD3HRH3
SCHEMBL1477451 0.71 DRD2 (0.40) ACHEDRD2DRD4BCHE
SCHEMBL1475625 0.71 MAOA (0.47) ACHEDRD2DRD4DRD3
SCHEMBL1475924 0.70 SIGMAR1 (0.52) —
SCHEMBL1476560 0.70 GRIN2B (0.39) ACHEDRD4KDM5B
SCHEMBL1475948 0.70 FAAH (0.42) ACHEDRD2DRD4DRD3HRH3
SCHEMBL1475280 0.70 CHRM2 (0.40) ACHEDRD2DRD4DRD3BCHE
SCHEMBL1476139 0.69 DCPS (0.39) KDM5B
SCHEMBL1475267 0.69 DCPS (0.44) —

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-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 — — US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 — — 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 ACHE 1608/4885DRD2 608/4885DRD4 377/4885

“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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