SCHEMBL10240845

SCHEMBL10240845

CCC(=O)N(c1cc(C2=CCCCC2)sc1C(=O)O)C1CCN(C(=O)C(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.40
OPRM1 P35372 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL10240847 0.91 OPRD1 (0.37) OPRD1
SCHEMBL2624421 0.90 NPY5R (0.33) OPRD1
SCHEMBL10249726 0.89 OPRD1 (0.31) OPRD1
SCHEMBL4953415 0.88 NR1I2 (0.33) OPRD1
SCHEMBL4953421 0.88 NR1I2 (0.33) OPRD1
SCHEMBL2619792 0.88 OPRD1 (0.38) OPRD1OPRM1SIGMAR1OPRL1
SCHEMBL2619517 0.88 OPRM1 (0.33) OPRD1OPRM1SIGMAR1OPRL1
SCHEMBL2105108 0.87 NR1I2 (0.39)
SCHEMBL2611948 0.87 NR1I2 (0.39)
SCHEMBL2624348 0.87 OPRM1 (0.44) OPRD1OPRM1SIGMAR1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158675-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-04-17 US disclosed
US-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2010-04-15 US disclosed
US-7569600-B2 Compounds and methods for the treatment of prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2009-08-04 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-20100093775-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, YBX1, HAX1 OPRD1 3214/4885OPRM1 2904/4885SIGMAR1 731/4885

“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.