SCHEMBL10181844

SCHEMBL10181844

CC[C@H](C)C(CN1CC(O)C1)N(C)C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CHRNA1 P02708 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ PLD2 O14939 2/20 0.32

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
SCHEMBL9101189 1.00 HRH3 (0.36) HRH3OPRK1MEN1KMT2ACHRNA1
SCHEMBL9104146 1.00 HRH3 (0.36) HRH3OPRK1MEN1KMT2ACHRNA1
SCHEMBL9886298 1.00 HRH3 (0.36) HRH3OPRK1MEN1KMT2ACHRNA1
SCHEMBL9107105 0.85 HRH3 (0.40) HRH3OPRK1CCR1
SCHEMBL9103361 0.85 HRH3 (0.40) HRH3OPRK1CCR1
SCHEMBL9104979 0.83 OPRK1 (0.37) HRH3OPRK1MEN1KMT2ACES2
SCHEMBL31478912 0.83 OPRK1 (0.37) HRH3OPRK1MEN1KMT2ACES2
SCHEMBL9105962 0.83 OPRK1 (0.37) HRH3OPRK1MEN1KMT2ACES2
SCHEMBL9103752 0.83 CYP2D6 (0.41) HRH3OPRK1ALDH1A1
SCHEMBL9104451 0.82 OPRK1 (0.41) HRH3OPRK1

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-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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 (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-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885OPRK1 398/4885MEN1 482/4885

“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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