SCHEMBL9101082

SCHEMBL9101082

CCCC(CN1CC(O)C1)N(C)C(=O)c1ccc(Cl)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.44
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A3 Q01959 3/20 0.39
▸ CYP2D6 P10635 2/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TACR2 P21452 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL9101072 1.00 OPRK1 (0.44) OPRK1SLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL9101033 0.90 TAS1R3 (0.41) OPRK1SLC6A4ALDH1A1CYP1A2CYP3A4
SCHEMBL9102337 0.90 TAS1R3 (0.41) OPRK1SLC6A4ALDH1A1CYP1A2CYP3A4
SCHEMBL9102284 0.87 OPRK1 (0.36) OPRK1SLC6A4MAOAMAOB
SCHEMBL9102296 0.87 OPRK1 (0.36) OPRK1SLC6A4MAOAMAOB
SCHEMBL9100354 0.86 OPRK1 (0.43) OPRK1SLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL31478849 0.86 OPRK1 (0.43) OPRK1SLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL9100342 0.86 OPRK1 (0.43) OPRK1SLC6A4SLC6A3CYP2D6SLC6A2
SCHEMBL9106357 0.85 OPRK1 (0.43) OPRK1SLC6A4SLC6A3CYP2D6ALDH1A1
SCHEMBL9106364 0.85 OPRK1 (0.43) OPRK1SLC6A4SLC6A3CYP2D6ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US claimed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — US claimed
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 OPRK1 398/4885SLC6A4 1410/4885SLC6A3 1421/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 OPRK1 398/4885SLC6A4 1410/4885SLC6A3 1421/4885

“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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