SCHEMBL9099303

SCHEMBL9099303

CCCCC(CN1CC(O)C1)N(C)C(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.42
▸ TSHR P16473 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL9103917 1.00 OPRK1 (0.42) OPRK1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL9100354 0.94 OPRK1 (0.43) OPRK1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL31478849 0.94 OPRK1 (0.43) OPRK1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL9100342 0.94 OPRK1 (0.43) OPRK1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL9104880 0.91 OPRK1 (0.36) OPRK1TAS1R3TAS1R1TAS1R2HRH3
SCHEMBL9106073 0.91 OPRK1 (0.36) OPRK1TAS1R3TAS1R1TAS1R2HRH3
SCHEMBL9100889 0.87 HRH3 (0.39) OPRK1HRH3
SCHEMBL9100882 0.87 HRH3 (0.39) OPRK1HRH3
SCHEMBL9101003 0.85 CCR5 (0.42) OPRK1SLC6A3HRH3CYP2D6
SCHEMBL9103019 0.85 CCR5 (0.42) OPRK1SLC6A3HRH3CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO 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 OPRK1 398/4885TSHR 304/4885TAS1R3 3687/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 OPRK1 398/4885TSHR 304/4885TAS1R3 3687/4885

“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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