SCHEMBL2879234

SCHEMBL2879234

C=C(C)C1(C(=O)Nc2nccc3ccccc23)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
FDPS P14324 1/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAP3K7 O43318 2/20 0.37
MAP3K6 O95382 2/20 0.37
MAP3K5 Q99683 2/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
PHGDH O43175 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 2/20 0.34
CNR1 P21554 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
SCHEMBL2861545 0.78 HTT (0.57) ALDH1A1ITGB1ITGA4KMT2A
SCHEMBL2864732 0.75 P2RX7 (0.55) CNR2ALDH1A1ITGB1ITGA4
SCHEMBL2861506 0.75 USP30 (0.38) CNR2FDPSBRD4CREBBPDRD2
SCHEMBL4411955 0.74 FDPS (0.53) CNR2FDPSBRD4CREBBPDRD2
SCHEMBL2857749 0.74 ALDH1A1 (0.51) FDPSBRD4CREBBPDRD2DRD4
SCHEMBL13066487 0.73 USP30 (0.39) CNR2FDPSBRD4CREBBPDRD2
SCHEMBL2858307 0.72 P2RX7 (0.57) CNR2ALDH1A1ITGB1ITGA4PHGDH
SCHEMBL10051128 0.72 FDPS (0.53) CNR2FDPSBRD4CREBBPDRD2
SCHEMBL2361181 0.72 KDM4E (0.56) CNR2FDPSBRD4CREBBPDRD2
SCHEMBL7599559 0.70 FDPS (0.54) CNR2FDPSBRD4CREBBPDRD2

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 9 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
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-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
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 CNR2 1504/4885FDPS 3194/4885BRD4 1176/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 CNR2 1504/4885FDPS 3194/4885BRD4 1176/4885

“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.