SCHEMBL2190155

SCHEMBL2190155

CCN(CC)C(=O)c1ccc(Br)cc1CC(C)N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
HSP90AA1 P07900 5/20 0.43
HSP90AB1 P08238 4/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.38
KEAP1 Q14145 1/20 0.36
GFER P55789 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL15192041 0.87 USP2 (0.47) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL15820026 0.87 USP2 (0.47) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL30532360 0.84 USP2 (0.51) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL14009083 0.81 USP2 (0.51) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL2729906 0.78 USP2 (0.49) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL9280753 0.76 KDM4E (0.56) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL7945720 0.75 USP2 (0.37) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL2170651 0.74 HPGD (0.57) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL471624 0.74 USP2 (0.54) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2
SCHEMBL3552169 0.73 USP2 (0.52) USP2HSP90AA1HSP90AB1RAB9ASMN1; SMN2

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
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B USP2 1163/4885HSP90AA1 2931/4885HSP90AB1 2848/4885

“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.