SCHEMBL2316385

SCHEMBL2316385

CC(=O)N1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.64
TSHR P16473 4/20 0.58
ALDH1A1 P00352 3/20 0.54
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
WNT3A P56704 1/20 0.44
CDK9 P50750 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL2418891 1.00 POLB (0.64) POLBTSHRALDH1A1RAB9ANPC1
SCHEMBL2418895 1.00 POLB (0.64) POLBTSHRALDH1A1RAB9ANPC1
SCHEMBL2418162 0.85 POLB (0.45) POLBTSHRALDH1A1WNT3AMEN1
SCHEMBL2418168 0.85 POLB (0.45) POLBTSHRALDH1A1WNT3AMEN1
SCHEMBL2322128 0.81 NPY5R (0.47) WNT3A
SCHEMBL2415738 0.81 NPY5R (0.47) WNT3A
SCHEMBL2320233 0.81 NPY5R (0.47) WNT3A
SCHEMBL2317846 0.81 ALDH1A1 (0.71) POLBTSHRALDH1A1RAB9ANPC1
SCHEMBL2318727 0.78 POLB (0.57) POLBTSHRALDH1A1RAB9ANPC1
SCHEMBL2417106 0.78 POLB (0.57) POLBTSHRALDH1A1RAB9ANPC1

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
CN-102272120-A Biologically active amides 2011-12-07 CN disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R POLB 4553/4885TSHR 209/4885ALDH1A1 3024/4885

“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.