SCHEMBL3058446

SCHEMBL3058446

CCN(c1cccc(CNC(=O)[C@@H]2CCCN2c2ccc(F)cc2)c1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
AADAT Q8N5Z0 12/20 0.45
TP53 P04637 1/20 0.43
BACE1 P56817 1/20 0.42
F2 P00734 1/20 0.41
P2RX7 Q99572 1/20 0.40

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
SCHEMBL3819001 0.78 LMNA (0.46) ALDH1A1
SCHEMBL3053874 0.78 ALDH1A1 (0.52) ALDH1A1BACE1
Hydrochloric Acid SCHEMBL4736859 0.78 LMNA (0.46) ALDH1A1
SCHEMBL3067561 0.78 AADAT (0.46) ALDH1A1AADATBACE1P2RX7
SCHEMBL3064281 0.78 AADAT (0.46) ALDH1A1AADATBACE1P2RX7
SCHEMBL3058822 0.74 AADAT (0.54) ALDH1A1AADATBACE1
SCHEMBL3060083 0.72 MAPT (0.42) ALDH1A1
SCHEMBL15665322 0.72 FKBP1A (0.60) ALDH1A1AADAT
SCHEMBL15665896 0.72 FKBP1A (0.60) ALDH1A1AADAT
Hydrochloric Acid SCHEMBL4736862 0.72 ALDH1A1 (0.41) ALDH1A1

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 ALDH1A1 957/4885AADAT 3680/4885TP53 2391/4885

“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.