SCHEMBL9104502

SCHEMBL9104502

CC(C)C(CN1CCC(O)C1)N(C)C(=O)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.42
▸ OPRK1 P41145 4/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ TAS1R2 Q8TE23 2/20 0.39
▸ DDR1 Q08345 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ MCHR1 Q99705 2/20 0.38

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
SCHEMBL9104486 1.00 HRH3 (0.44) HRH3HDAC8OPRK1CYP2D6OPRM1
SCHEMBL9274779 0.89 HRH3 (0.44) HRH3HDAC8OPRK1CYP2D6OPRM1
SCHEMBL9102911 0.87 HRH3 (0.44) HRH3OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9101356 0.87 HRH3 (0.44) HRH3OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9101346 0.87 HRH3 (0.44) HRH3OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9103909 0.86 OPRK1 (0.51) HRH3OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9103900 0.86 OPRK1 (0.51) HRH3OPRK1CYP2D6OPRM1OPRD1
SCHEMBL31478908 0.86 OPRK1 (0.51) HRH3OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9101820 0.86 HDAC8 (0.45) HDAC8CYP2D6TAS1R3TAS1R1TAS1R2
SCHEMBL9101826 0.86 HDAC8 (0.45) HDAC8CYP2D6TAS1R3TAS1R1TAS1R2

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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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 (2 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885HDAC8 1995/4885OPRK1 398/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885HDAC8 1995/4885OPRK1 398/4885

“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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