SCHEMBL2623623

SCHEMBL2623623

CCC(=O)N(c1cc(C2=CCCCC2)sc1C(=O)O)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 2/20 0.35
OPRD1 P41143 2/20 0.31
OPRM1 P35372 3/20 0.31
SIGMAR1 Q99720 2/20 0.31
TACR1 P25103 1/20 0.31
SLC22A1 O15245 1/20 0.30
NR1I2 O75469 1/20 0.30
ABCB1 P08183 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
MAOA P21397 1/20 0.30
DRD4 P21917 1/20 0.30
MAOB P27338 1/20 0.30
ADRA1A P35348 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
SCHEMBL2619517 0.93 OPRM1 (0.33) SLC6A3KCNH2OPRD1OPRM1SIGMAR1
SCHEMBL2620460 0.91 ALDH1A1 (0.34) SLC6A3KCNH2OPRD1OPRM1SIGMAR1
SCHEMBL2620381 0.90 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3KCNH2OPRM1
SCHEMBL2619765 0.89 OPRD1 (0.32) SLC6A3KCNH2OPRD1OPRM1SIGMAR1
SCHEMBL2620389 0.88 OPRD1 (0.31) SLC6A3KCNH2OPRD1OPRM1SIGMAR1
SCHEMBL13758706 0.88 OPRD1 (0.35) SLC6A3KCNH2OPRD1OPRM1SIGMAR1
SCHEMBL2619792 0.87 OPRD1 (0.38) SLC6A3KCNH2OPRD1OPRM1SIGMAR1
SCHEMBL2620484 0.87 OPRD1 (0.31) OPRD1OPRM1SIGMAR1
SCHEMBL2611962 0.86 NR1I2 (0.38) NR1I2
SCHEMBL4373682 0.86 NR1I2 (0.38) NR1I2

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 2 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

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 SLC6A4 1862/4885SLC6A2 2325/4885SLC6A3 1681/4885

“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.