SCHEMBL6986200

SCHEMBL6986200

CC(C)(C)C(=O)CN1CC2CC(CN(CCCNc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.39
MEN1 O00255 2/20 0.37
PGR P06401 3/20 0.37
EPHX2 P34913 1/20 0.36
AR P10275 4/20 0.36
KMT2A Q03164 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
MCHR1 Q99705 2/20 0.35
KCNA5 P22460 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL6094385 0.92 CCR3 (0.40) CCR3MEN1ARKMT2AHRH2
SCHEMBL2966852 0.89 KCNH2 (0.44) CCR3MEN1ARKMT2AHRH2
SCHEMBL7033543 0.86 CCR3 (0.48) CCR3EPHX2HRH2HRH1
SCHEMBL5965408 0.84 AR (0.41) CCR3MEN1ARHRH2HRH1
SCHEMBL5965831 0.84 AR (0.41) CCR3MEN1ARKMT2AHRH2
SCHEMBL6623202 0.84 CCR3 (0.42) CCR3MEN1PGREPHX2KMT2A
SCHEMBL6995238 0.83 HTR1A (0.40) HRH2HRH1
SCHEMBL6621239 0.83 EPHX2 (0.43) EPHX2ARHRH2HRH1EGLN2
SCHEMBL7033675 0.81 HRH2 (0.37) MEN1EPHX2HRH2HRH1
SCHEMBL6738695 0.81 NAMPT (0.46) PGREPHX2AR

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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2003-11-13 US disclosed
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO 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 (1 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-20030212095-A1 New bispidine compounds and their use in the treatment of cardiac arrhythmias KCNH1, LBR, CACNA1E CCR3 4291/4885MEN1 2260/4885PGR 2560/4885

“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.