SCHEMBL14048987

SCHEMBL14048987

CCC(=O)c1sc(-c2ccccc2)cc1N(CC1CCN(C)CC1)C(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.42
▸ OPRM1 P35372 5/20 0.39
▸ ACHE P22303 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CHEK1 O14757 1/20 0.37

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
SCHEMBL14136979 0.89 KDM4E (0.48) OPRD1OPRM1KDM4EMEN1NPC1
SCHEMBL14030874 0.88 MKNK1 (0.37) OPRD1IKBKBMKNK1KDM4ECHEK1
SCHEMBL14048985 0.85 SMN1; SMN2 (0.44) ACHEMEN1NPC1RAB9AKMT2A
SCHEMBL14049088 0.83 CHEK1 (0.42) OPRD1OPRM1CHEK1
SCHEMBL2876357 0.80 CYP2E1 (0.42) MKNK1KDM4ECHEK1
Hydrochloric Acid SCHEMBL2874873 0.79 CYP2E1 (0.41) MKNK1KDM4ECHEK1
SCHEMBL2870751 0.77 KDM4E (0.47) MKNK1KDM4EALDH1A1MAPTHPGD
SCHEMBL14136980 0.76 SMN1; SMN2 (0.44) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL14049048 0.75 IKBKB (0.40) OPRD1OPRM1IKBKBKDM4ENPC1
SCHEMBL14030873 0.74 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2

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 OPRD1 4221/4885OPRM1 4348/4885ACHE 1874/4885

“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.

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