SCHEMBL3064281

SCHEMBL3064281

CCN(c1nc(CNC(=O)[C@@H]2CCCN2c2ccc(F)cc2)cs1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 16/20 0.46
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL3067561 1.00 AADAT (0.46) AADATBACE1ALDH1A1P2RX7TRPA1
SCHEMBL3071622 0.83 P2RX7 (0.46) P2RX7
SCHEMBL3816465 0.79 MAPK14 (0.43) ALDH1A1
SCHEMBL3058446 0.78 ALDH1A1 (0.47) AADATBACE1ALDH1A1P2RX7
SCHEMBL3816468 0.74 RAB9A (0.36) ALDH1A1
SCHEMBL3058822 0.73 AADAT (0.54) AADATBACE1ALDH1A1
SCHEMBL8168420 0.70 HCRTR1 (0.39) ALDH1A1
SCHEMBL3060078 0.70 GRM1 (0.35) ALDH1A1
SCHEMBL3053874 0.70 ALDH1A1 (0.52) BACE1ALDH1A1
SCHEMBL19815197 0.69 BACE1 (0.50) BACE1ALDH1A1

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S AADAT 3680/4885BACE1 1907/4885ALDH1A1 957/4885

“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.