SCHEMBL9104547

SCHEMBL9104547

CCCC(CN1CC(O)C1)N(C)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 2/20 0.47
▸ OPRM1 P35372 2/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CCR2 P41597 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ OPRK1 P41145 3/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR142 Q7Z601 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL9104538 1.00 TAS1R3 (0.47) TAS1R3TAS1R1OPRM1OPRL1ALDH1A1
SCHEMBL9101440 0.85 HPGD (0.45) TAS1R3TAS1R1OPRM1OPRK1OPRD1
SCHEMBL9101433 0.85 HPGD (0.45) TAS1R3TAS1R1OPRM1OPRK1OPRD1
SCHEMBL9105408 0.82 HDAC8 (0.42) TAS1R3TAS1R1OPRK1CYP2D6
SCHEMBL9105399 0.82 HDAC8 (0.42) TAS1R3TAS1R1OPRK1CYP2D6
SCHEMBL9105962 0.81 OPRK1 (0.37) TAS1R3TAS1R1OPRM1KMT2AOPRK1
SCHEMBL9104979 0.81 OPRK1 (0.37) TAS1R3TAS1R1OPRM1KMT2AOPRK1
SCHEMBL31478912 0.81 OPRK1 (0.37) TAS1R3TAS1R1OPRM1KMT2AOPRK1
SCHEMBL9101033 0.79 TAS1R3 (0.41) TAS1R3TAS1R1OPRM1ALDH1A1LMNA
SCHEMBL9102337 0.79 TAS1R3 (0.41) TAS1R3TAS1R1OPRM1ALDH1A1LMNA

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 TAS1R3 3687/4885TAS1R1 3249/4885OPRM1 973/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 TAS1R3 3687/4885TAS1R1 3249/4885OPRM1 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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