SCHEMBL6457653

SCHEMBL6457653

C[C@@H](c1ccc(F)cc1)C1(C(N)=O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.39
ALDH1A1 P00352 1/20 0.37
SLC6A2 P23975 1/20 0.36
DPP4 P27487 1/20 0.36
PITRM1 Q5JRX3 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL6462324 1.00 HSD11B1 (0.39) HSD11B1ALDH1A1SLC6A2DPP4PITRM1
SCHEMBL6922904 1.00 HSD11B1 (0.39) HSD11B1ALDH1A1SLC6A2DPP4PITRM1
SCHEMBL5521100 0.86 ALOX5 (0.42) ALDH1A1SLC6A2SLC6A3
SCHEMBL517632 0.84 ALOX5 (0.41) ALDH1A1SLC6A2SLC6A3
SCHEMBL6923366 0.82 SLC6A4 (0.47) ALDH1A1SLC6A2SLC6A3
SCHEMBL6457544 0.82 SLC6A4 (0.47) ALDH1A1SLC6A2SLC6A3
SCHEMBL6459963 0.80 TSHR (0.41) ALDH1A1DPP4DPP8
SCHEMBL6460103 0.80 TSHR (0.41) ALDH1A1DPP4DPP8
SCHEMBL515992 0.78 HSD11B1 (0.36) HSD11B1ALDH1A1
SCHEMBL6463057 0.76 HIF1A (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 HSD11B1 1658/4885ALDH1A1 2036/4885SLC6A2 191/4885

“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.