SCHEMBL9101607

SCHEMBL9101607

CC(C)[C@@H](CN1CC[C@H](O)C1)N(C)C(=O)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ UBE2M P61081 3/20 0.38
▸ DCUN1D1 Q96GG9 3/20 0.38
▸ BDKRB1 P46663 2/20 0.37
▸ CCR2 P41597 1/20 0.36

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
SCHEMBL31478948 1.00 OPRK1 (0.43) OPRK1CYP2D6HRH3OPRM1OPRD1
SCHEMBL9104308 0.86 TACR2 (0.41) OPRK1CYP2D6
SCHEMBL31478933 0.86 TACR2 (0.41) OPRK1CYP2D6
SCHEMBL9104300 0.86 TACR2 (0.41) OPRK1CYP2D6
SCHEMBL9104502 0.82 HRH3 (0.44) OPRK1CYP2D6HRH3OPRM1OPRD1
SCHEMBL9104486 0.82 HRH3 (0.44) OPRK1CYP2D6HRH3OPRM1OPRD1
SCHEMBL9106114 0.80 SMO (0.41) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9106105 0.80 SMO (0.41) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9102911 0.78 HRH3 (0.44) OPRK1CYP2D6HRH3OPRM1OPRD1
SCHEMBL9101346 0.78 HRH3 (0.44) OPRK1CYP2D6HRH3OPRM1OPRD1

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 4 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
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO 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 OPRK1 398/4885CYP2D6 1483/4885HRH3 942/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 OPRK1 398/4885CYP2D6 1483/4885HRH3 942/4885

“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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