SCHEMBL2318008

SCHEMBL2318008

CCCS(=O)(=O)N1CCC(CC(=O)Nc2ccc(Br)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 3/20 0.47
TSHR P16473 2/20 0.47
DEGS1 O15121 3/20 0.46
LMNA P02545 1/20 0.45
USP30 Q70CQ3 1/20 0.44
EPHX2 P34913 1/20 0.43

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
SCHEMBL2318170 0.88 ALDH1A1 (0.55) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL2318241 0.83 NPY5R (0.48) SMN1; SMN2DEGS1LMNAUSP30
SCHEMBL2319049 0.82 EPHX2 (0.47) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL31241006 0.80 RAB9A (0.68) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL2317080 0.80 RAB9A (0.56) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL31241140 0.78 RAB9A (0.73) RAB9AALDH1A1SMN1; SMN2NPC1POLB
SCHEMBL2417326 0.73 EPHX2 (0.44) SMN1; SMN2DEGS1LMNAUSP30EPHX2
SCHEMBL2318660 0.72 NPY5R (0.52) DEGS1USP30
SCHEMBL2321999 0.71 USP30 (0.50) ALDH1A1SMN1; SMN2POLBTSHRDEGS1
SCHEMBL31241020 0.71 RAB9A (0.65) RAB9AALDH1A1SMN1; SMN2NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 3184/4885ALDH1A1 3024/4885SMN1; SMN2 1836/4885

“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.