SCHEMBL9101033

SCHEMBL9101033

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ OPRK1 P41145 4/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL9102337 1.00 TAS1R3 (0.41) TAS1R3TAS1R1KDM2BOPRK1ALDH1A1
SCHEMBL9101082 0.90 OPRK1 (0.44) KDM2BOPRK1ALDH1A1SLC6A4CYP1A2
SCHEMBL9102296 0.90 OPRK1 (0.36) OPRK1HRH3OPRM1OPRD1SLC6A4
SCHEMBL9102284 0.90 OPRK1 (0.36) OPRK1HRH3OPRM1OPRD1SLC6A4
SCHEMBL9101072 0.90 OPRK1 (0.44) KDM2BOPRK1ALDH1A1SLC6A4CYP1A2
SCHEMBL9101433 0.85 HPGD (0.45) TAS1R3TAS1R1OPRK1OPRM1OPRD1
SCHEMBL31478912 0.85 OPRK1 (0.37) TAS1R3TAS1R1OPRK1HRH3OPRM1
SCHEMBL9105962 0.85 OPRK1 (0.37) TAS1R3TAS1R1OPRK1HRH3OPRM1
SCHEMBL9104979 0.85 OPRK1 (0.37) TAS1R3TAS1R1OPRK1HRH3OPRM1
SCHEMBL9101440 0.85 HPGD (0.45) TAS1R3TAS1R1OPRK1OPRM1OPRD1

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 7 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
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO 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
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 TAS1R3 3687/4885TAS1R1 3249/4885KDM2B 646/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TAS1R3 3687/4885TAS1R1 3249/4885KDM2B 646/4885

“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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