SCHEMBL14048964

SCHEMBL14048964

CN1CCC(N(c2cc(I)sc2C=O)C(=O)[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM3 P20309 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
SCHEMBL13630691 0.83
SCHEMBL2876329 0.81 NR1I2 (0.37) NR1I2OPRM1
SCHEMBL2876332 0.81 NR1I2 (0.37) NR1I2OPRM1
SCHEMBL14048965 0.81 OPRM1 (0.36) NR1I2OPRM1CHRM2CHRM3
SCHEMBL13852269 0.77
SCHEMBL13630694 0.73 CYP2E1 (0.33) NR1I2
SCHEMBL2432492 0.73 NR1I2 (0.36) NR1I2
SCHEMBL2432488 0.73 NR1I2 (0.36) NR1I2
SCHEMBL13630800 0.72 ALDH1A1 (0.41)
SCHEMBL14136984 0.72 POLB (0.40) OPRM1CHRM2CHRM3

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 NR1I2 1393/4885OPRM1 4348/4885OPRD1 4221/4885

“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.