SCHEMBL9104913

SCHEMBL9104913

CCC[C@@H](CN1CC[C@H](O)C1)N(C)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 8/20 0.53
▸ CYP2D6 P10635 6/20 0.53
▸ HRH3 Q9Y5N1 4/20 0.48
▸ SLC6A3 Q01959 1/20 0.46
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ HRH2 P25021 2/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ KDM2B Q8NHM5 2/20 0.42
▸ CCR5 P51681 1/20 0.41

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
SCHEMBL9104924 1.00 OPRK1 (0.53) OPRK1CYP2D6HRH3SLC6A3OPRM1
SCHEMBL9104216 0.92 SLC6A3 (0.46) OPRK1CYP2D6HRH3SLC6A3KDM2B
SCHEMBL9104211 0.92 SLC6A3 (0.46) OPRK1CYP2D6HRH3SLC6A3KDM2B
SCHEMBL9106288 0.86 CYP2D6 (0.43) OPRK1CYP2D6HRH3SLC6A3KDM2B
SCHEMBL9101058 0.86 CYP2D6 (0.43) OPRK1CYP2D6HRH3SLC6A3KDM2B
SCHEMBL9103163 0.86 HRH3 (0.48) OPRK1CYP2D6HRH3OPRM1OPRD1
SCHEMBL9103155 0.86 HRH3 (0.48) OPRK1CYP2D6HRH3OPRM1OPRD1
SCHEMBL9102627 0.81 HRH3 (0.43) OPRK1CYP2D6HRH3OPRM1OPRD1
SCHEMBL9102635 0.81 HRH3 (0.43) OPRK1CYP2D6HRH3OPRM1OPRD1
SCHEMBL9100511 0.78 KDM2B (0.39) OPRK1HRH3SLC6A3OPRM1OPRD1

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 11 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
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-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — 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
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
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 (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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