SCHEMBL9103155

SCHEMBL9103155

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.48
▸ OPRK1 P41145 6/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ CYP2D6 P10635 3/20 0.43
▸ KDM2B Q8NHM5 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42

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
SCHEMBL9103163 1.00 HRH3 (0.48) HRH3OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9102627 0.95 HRH3 (0.43) HRH3OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9102635 0.95 HRH3 (0.43) HRH3OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9100799 0.92 KDM2B (0.39) HRH3OPRK1OPRM1OPRD1KDM2B
SCHEMBL9100511 0.92 KDM2B (0.39) HRH3OPRK1OPRM1OPRD1KDM2B
SCHEMBL9100505 0.92 KDM2B (0.39) HRH3OPRK1OPRM1OPRD1KDM2B
Hydrochloric Acid SCHEMBL9102959 0.91 KDM2B (0.39) HRH3OPRK1OPRM1OPRD1KDM2B
Hydrochloric Acid SCHEMBL9102951 0.91 KDM2B (0.39) HRH3OPRK1OPRM1OPRD1KDM2B
Cadaverine Tartrate SCHEMBL9099141 0.87 OPRK1 (0.38) HRH3OPRK1OPRM1OPRD1CYP2D6
Cadaverine Tartrate SCHEMBL9099144 0.87 OPRK1 (0.38) HRH3OPRK1OPRM1OPRD1CYP2D6

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 HRH3 942/4885OPRK1 398/4885OPRM1 973/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HRH3 942/4885OPRK1 398/4885OPRM1 973/4885

“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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