SCHEMBL2862899

SCHEMBL2862899

COc1c(C)cccc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](N(C)C(N)=NC#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KCNA3 P22001 14/20 0.50
P2RX7 Q99572 3/20 0.45
ALDH1A1 P00352 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
SCHEMBL2879950 0.93 MEN1 (0.61) MEN1KMT2AKCNA3ALDH1A1
SCHEMBL5350627 0.89 KCNA3 (0.64) MEN1KMT2AKCNA3ALDH1A1
SCHEMBL5351670 0.89 KCNA3 (0.64) MEN1KMT2AKCNA3ALDH1A1
SCHEMBL2860301 0.86 MEN1 (0.56) MEN1KMT2AKCNA3ALDH1A1
SCHEMBL2870241 0.86 KCNA3 (0.53) MEN1KMT2AKCNA3ALDH1A1
SCHEMBL2856024 0.84 KCNA3 (0.53) MEN1KMT2AKCNA3ALDH1A1
SCHEMBL2862893 0.84 MEN1 (0.52) MEN1KMT2AKCNA3P2RX7ALDH1A1
SCHEMBL2860755 0.84 MEN1 (0.62) MEN1KMT2AKCNA3ALDH1A1
SCHEMBL2867546 0.84 KCNA3 (0.52) MEN1KMT2AKCNA3ALDH1A1
SCHEMBL2861390 0.83 MEN1 (0.48) MEN1KMT2AKCNA3ALDH1A1

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
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
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 MEN1 4430/4885KMT2A 1396/4885KCNA3 18/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 MEN1 4430/4885KMT2A 1396/4885KCNA3 18/4885

“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.