SCHEMBL9105737

SCHEMBL9105737

CC(C)C(CN1CCC(O)C1)N(C)C(=O)c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ OPRK1 P41145 6/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ PDK2 Q15119 2/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9105729 1.00 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3OPRK1CYP2D6
Cadaverine Tartrate SCHEMBL9106332 0.94 OPRK1 (0.42) SLC6A2SLC6A4SLC6A3OPRK1CYP2D6
Cadaverine Tartrate SCHEMBL9106324 0.94 OPRK1 (0.42) SLC6A2SLC6A4SLC6A3OPRK1CYP2D6
SCHEMBL9275116 0.88 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3OPRK1CYP2D6
SCHEMBL9106105 0.86 SMO (0.41) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9106114 0.86 SMO (0.41) OPRK1CYP2D6OPRM1OPRD1
SCHEMBL9100754 0.85 HPGD (0.44) —
SCHEMBL9100747 0.85 HPGD (0.44) —
SCHEMBL9101561 0.84 HPGD (0.46) —
SCHEMBL9106050 0.84 OPRK1 (0.44) SLC6A2SLC6A4SLC6A3OPRK1CYP2D6

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 3 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
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 SLC6A2 373/4885SLC6A4 1410/4885SLC6A3 1421/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 SLC6A2 373/4885SLC6A4 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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