SCHEMBL6459488

SCHEMBL6459488

C[C@H](c1cccc2ccccc12)C1(C(N)=O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
SLC6A2 P23975 2/20 0.46
METAP2 P50579 2/20 0.46
METAP1 P53582 2/20 0.46
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SSTR4 P31391 1/20 0.41
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
ACP3 P15309 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL6456277 1.00 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2METAP2METAP1
SCHEMBL6457746 0.80 HIF1A (0.41) ALDH1A1GAA
SCHEMBL6924088 0.80 HIF1A (0.41) ALDH1A1GAA
SCHEMBL6463057 0.80 HIF1A (0.41) ALDH1A1GAA
SCHEMBL517632 0.76 ALOX5 (0.41) SLC6A4SLC6A3SLC6A2ALOX5ALDH1A1
SCHEMBL2432421 0.76 KDM4E (0.43) ALOX5ALDH1A1LMNA
SCHEMBL9310267 0.71 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2METAP2METAP1
SCHEMBL1285411 0.71 ALDH1A1 (0.51) ALOX5ALDH1A1AURKARPS6KB1AURKB
SCHEMBL6894430 0.71 ALDH1A1 (0.51) ALOX5ALDH1A1AURKARPS6KB1AURKB
SCHEMBL6897764 0.71 ALDH1A1 (0.51) ALOX5ALDH1A1AURKARPS6KB1AURKB

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 SLC6A4 205/4885SLC6A3 144/4885SLC6A2 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.