SCHEMBL15399768

SCHEMBL15399768

Nc1ccc(CCC2CCCCC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
NFE2L2 Q16236 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL15399734 0.98 SLC6A2 (0.39) DAOTBK1SLC6A2SLC6A4SLC6A3
SCHEMBL15400565 0.92 SLC6A2 (0.41) TBK1SLC6A2SLC6A4SLC6A3BACE1
SCHEMBL15435208 0.89 MOGAT2 (0.39) ALDH1A1
SCHEMBL16191333 0.85 ALDH1A1 (0.46) DAOTBK1SLC6A2SLC6A4SLC6A3
SCHEMBL18545307 0.83 DAO (0.40) DAOTBK1NUDT1BACE1NFE2L2
SCHEMBL15400513 0.82 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL12241634 0.78 ALDH1A1 (0.41) BACE1ALDH1A1
SCHEMBL9260065 0.78 DAO (0.44) DAOPOLBGAA
SCHEMBL8767290 0.77 ALDH1A1 (0.39) DAOSLC6A2SLC6A4SLC6A3GAA
SCHEMBL8767285 0.77 ALDH1A1 (0.39) DAOSLC6A2SLC6A4SLC6A3GAA

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
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-02 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-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND LCAT, ACAT2, SOAT2 DAO 930/4885TBK1 4136/4885SLC6A2 1005/4885

“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.