SCHEMBL14048967

SCHEMBL14048967

C[C@H]1CC[C@H](C(=O)N(c2ccsc2C=O)C2CCNCC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
TACR1 P25103 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
SCHEMBL14048965 0.85 OPRM1 (0.36) CACNA2D1
SCHEMBL2873412 0.81 ALDH1A1 (0.41)
SCHEMBL2873409 0.81 ALDH1A1 (0.41)
SCHEMBL10076041 0.78 CHEK1 (0.36) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL12949686 0.76 NR1I2 (0.39)
SCHEMBL2431371 0.73 ALDH1A1 (0.44)
SCHEMBL2431376 0.73 ALDH1A1 (0.44)
SCHEMBL13630959 0.72 ALDH1A1 (0.43) SLC6A4SLC6A2
SCHEMBL1077272 0.71 NR1I2 (0.36)
SCHEMBL2106809 0.71 NR1I2 (0.36)

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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX CACNA2D1 4753/4885SLC6A4 1697/4885SLC6A2 2116/4885

“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.