SCHEMBL5350801

SCHEMBL5350801

C=C(C)C1(C(=O)NCCC(c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
EPHX2 P34913 2/20 0.48
CNR1 P21554 7/20 0.47
CNR2 P34972 6/20 0.47
CASR P41180 4/20 0.46
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13066397 0.80 MMP8 (0.55) EPHX2HPGD
SCHEMBL5357017 0.79 MTNR1A (0.54) MTNR1AMTNR1BEPHX2CNR1CNR2
SCHEMBL13066966 0.77 SMN1; SMN2 (0.68) MTNR1AMTNR1BEPHX2CNR1CNR2
SCHEMBL4219824 0.72 MTNR1A (1.00) MTNR1AMTNR1BEPHX2CNR1CNR2
SCHEMBL20825093 0.72 MTNR1A (0.68) MTNR1AMTNR1BEPHX2CNR1CNR2
SCHEMBL5363722 0.72 AOC3 (0.49) EPHX2
SCHEMBL7443581 0.71 SMN1; SMN2 (0.43) MTNR1AMTNR1BEPHX2NPSR1
SCHEMBL2726416 0.69 MTNR1A (0.72) MTNR1AMTNR1BEPHX2CNR1CNR2
SCHEMBL23729560 0.67 SPHK1 (0.35)
SCHEMBL8083629 0.67 KDM1A (0.40)

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
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 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 (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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 MTNR1A 1999/4885MTNR1B 1866/4885EPHX2 4474/4885

“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.