SCHEMBL14048965

SCHEMBL14048965

CN1CCC(N(c2ccsc2C=O)C(=O)[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.36
CACNA2D1 P54289 11/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR1I2 O75469 2/20 0.32

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
SCHEMBL14048967 0.85 CACNA2D1 (0.31) CACNA2D1
SCHEMBL2878267 0.81 ALDH1A1 (0.45) OPRM1CACNA2D1ALDH1A1L3MBTL1
SCHEMBL2878269 0.81 ALDH1A1 (0.45) OPRM1CACNA2D1ALDH1A1L3MBTL1
SCHEMBL14048964 0.81 NR1I2 (0.35) OPRM1CHRM2CHRM3NR1I2
SCHEMBL5031700 0.79 ALDH1A1 (0.40) OPRM1CACNA2D1ALDH1A1POLB
SCHEMBL5031698 0.79 ALDH1A1 (0.40) OPRM1CACNA2D1ALDH1A1POLB
SCHEMBL12949686 0.75 NR1I2 (0.39) OPRM1CHRM2CHRM3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL16004727 0.74 OPRM1 (0.40) OPRM1CACNA2D1
Hydrochloric Acid SCHEMBL16004726 0.74 OPRM1 (0.34) OPRM1CACNA2D1NR1I2
SCHEMBL2431371 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1

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 OPRM1 4348/4885CACNA2D1 4753/4885CHRM2 4880/4885

“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.