Sugi Predict

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SCHEMBL5345113

SCHEMBL5345113

CCN=C(NC#N)N(CC)[C@H]1CC[C@@H](C(NC(=O)c2ccccc2OC)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ KCNA3 P22001 1/20 0.37
▸ KCNK3 O14649 2/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ SMYD3 Q9H7B4 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CTSD P07339 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
SCHEMBL6221527 0.83 ALDH1A1 (0.46) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL6220384 0.80 MEN1 (0.39) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL5460016 0.79 ALDH1A1 (0.39) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL6220387 0.79 KCNA5 (0.39) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL2864332 0.79 KCNA3 (0.57) ALDH1A1MEN1KMT2AKCNA3
SCHEMBL5474220 0.78 ALDH1A1 (0.41) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL5467362 0.78 ALDH1A1 (0.41) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL5455692 0.78 ALDH1A1 (0.44) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL6219967 0.76 ALDH1A1 (0.47) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL5462253 0.76 THRB (0.40) ALDH1A1HPGDMEN1MAPK1KMT2A

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-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
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function ICAGEN, INC. 2004-04-15 — — 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 (3 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 ALDH1A1 4075/4885HPGD 3115/4885MEN1 4430/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885HPGD 3115/4885MEN1 4430/4885
US-20040072880-A1 Cycloalkyl inhibitors of potassium channel function KCNN1, KCNN2, KCNH2 ALDH1A1 2859/4885HPGD 2708/4885MEN1 4044/4885

“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.