SCHEMBL2863165

SCHEMBL2863165

O=C(CCc1ccccc1)NC(Cc1ccccc1)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CYP2C19 P33261 1/20 0.54
EPHX2 P34913 8/20 0.52
EPHX1 P07099 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TAAR1 Q96RJ0 1/20 0.48
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL2877086 0.86 EPHX2 (0.61) ALDH1A1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL2864934 0.82 TSHR (0.49) EPHX2TSHR
SCHEMBL2861620 0.81 CTRB1 (0.51) ALDH1A1EPHX2NPC1RAB9A
SCHEMBL2875665 0.80 EPHX2 (0.53) ALDH1A1CYP2C19EPHX2RAB9APOLB
SCHEMBL2861732 0.78 EPHX2 (0.62) ALDH1A1CYP2C19EPHX2NPC1RAB9A
SCHEMBL13169536 0.77 EPHX2 (0.83) ALDH1A1CYP2C19EPHX2EPHX1NPC1
SCHEMBL3455859 0.77 EPHX2 (0.83) ALDH1A1CYP2C19EPHX2EPHX1NPC1
SCHEMBL3372476 0.76 LMNA (0.49) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2861403 0.75 L3MBTL1 (0.49) ALDH1A1EPHX2EPHX1NPC1RAB9A
SCHEMBL3281866 0.75 EPHX2 (0.54) EPHX2EPHX1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 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 ALDH1A1 4075/4885CYP2C19 4003/4885EPHX2 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.