SCHEMBL9105891

SCHEMBL9105891

CC(C)C(CN1CCC1)N(C)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRL1 P41146 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL9105884 1.00 OPRK1 (0.49) OPRK1NPSR1OPRM1OPRL1LMNA
SCHEMBL9100672 0.98 OPRK1 (0.52) OPRK1NPSR1OPRM1OPRL1LMNA
SCHEMBL9100663 0.98 OPRK1 (0.52) OPRK1NPSR1OPRM1OPRL1LMNA
SCHEMBL9104648 0.97 OPRK1 (0.51) OPRK1NPSR1OPRM1OPRL1LMNA
SCHEMBL9102325 0.84 MAPT (0.46) HPGD
SCHEMBL9102341 0.84 MAPT (0.46) HPGD
SCHEMBL9104582 0.83 CHRNA1 (0.46) —
SCHEMBL9104592 0.83 CHRNA1 (0.46) —
SCHEMBL9104308 0.82 TACR2 (0.41) OPRK1KMT2A
SCHEMBL9104300 0.82 TACR2 (0.41) OPRK1KMT2A

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 OPRK1 398/4885NPSR1 300/4885OPRM1 973/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 OPRK1 398/4885NPSR1 300/4885OPRM1 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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