SCHEMBL1644472

SCHEMBL1644472

CCNc1ccc([C@@H](C)NC(=O)c2ccc3cc(Br)ccc3n2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SCN9A Q15858 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1643215 0.90 PDE2A (0.43) PDE2ASCN9A
SCHEMBL1644517 0.87 PDE2A (0.37) PDE2ASCN9ASMN1; SMN2
SCHEMBL1643131 0.86 PDE2A (0.45) PDE2AKMT2A
SCHEMBL1642830 0.85 PDE2A (0.46) PDE2ASCN9A
SCHEMBL1642931 0.85 PDE2A (0.40) PDE2ASCN9A
SCHEMBL1285004 0.85 ALDH1A1 (0.39) PDE2AABCG2ALDH1A1SCN9AHPGD
SCHEMBL1643049 0.82 PDE2A (0.38) PDE2ASCN9A
SCHEMBL1644603 0.78 MEN1 (0.37) PDE2AALDH1A1KMT2A
SCHEMBL1643203 0.77 LMNA (0.41) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL1643666 0.76 PDE2A (0.39) PDE2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PDE2A 1116/4885ABCG2 659/4885ALDH1A1 1265/4885

“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.