SCHEMBL4417990

SCHEMBL4417990

CC(C)(C#N)c1ccc(C(=O)N2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
USP30 Q70CQ3 4/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
SLC6A9 P48067 2/20 0.42
SLC6A5 Q9Y345 2/20 0.42
NPY2R P49146 1/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.40
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.40
MAOB P27338 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4415020 0.91 HTT (0.48) HTTUSP30LDHALDHBSLC6A9
SCHEMBL4417986 0.89 USP30 (0.49) HTTUSP30JAK2JAK3SLC6A9
SCHEMBL4421406 0.85 NPC1 (0.47) HTTUSP30SLC6A5NPC1LMNA
SCHEMBL4552356 0.83 BRAF (0.48) HTTUSP30LMNAHPGDSMN1; SMN2
SCHEMBL4424986 0.80 USP30 (0.59) HTTUSP30LDHALDHBNPC1
SCHEMBL4421230 0.79 MAOA (0.44) HTTUSP30LDHALDHBNPC1
SCHEMBL4415018 0.79 USP30 (0.52) HTTUSP30SLC6A9SLC6A5NPC1
SCHEMBL2167434 0.77 NPC1 (0.41) HTTUSP30SLC6A9SLC6A5NPC1
SCHEMBL4424781 0.77 USP30 (0.44) HTTUSP30LDHALDHBNPC1
SCHEMBL4420965 0.76 ALDH1A1 (0.53) HTTNPC1LMNAHPGDSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 HTT 1090/4885USP30 4095/4885JAK2 2756/4885

“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.