SCHEMBL4415018

SCHEMBL4415018

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)c4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.52
SLC6A5 Q9Y345 2/20 0.47
SLC6A9 P48067 1/20 0.47
NPC1 O15118 3/20 0.46
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 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
SCHEMBL4417986 0.91 USP30 (0.49) USP30SLC6A5SLC6A9NPC1MAOB
SCHEMBL4421228 0.90 USP30 (0.49) USP30SLC6A5SLC6A9NPC1MAOB
SCHEMBL4421404 0.89 NPC1 (0.49) USP30SLC6A5SLC6A9NPC1MAOB
SCHEMBL4420887 0.88 USP30 (0.49) USP30SLC6A5SLC6A9NPC1MAOB
SCHEMBL4415020 0.88 HTT (0.48) USP30SLC6A5SLC6A9NPC1MAOB
SCHEMBL4419256 0.86 MAOA (0.50) USP30NPC1MAOBMAOASMN1; SMN2
SCHEMBL4420964 0.86 ALDH1A1 (0.53) NPC1SMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL4424777 0.82 USP30 (0.52) USP30SLC6A5SLC6A9NPC1MAOB
SCHEMBL4430223 0.81 HRH3 (0.52) NPC1SMN1; SMN2HPGDALDH1A1RAB9A
SCHEMBL4411212 0.81 USP30 (0.47) USP30SLC6A5SLC6A9NPC1MAOB

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 12 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
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP disclosed
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US disclosed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 USP30 4095/4885SLC6A5 1/4885SLC6A9 9/4885

“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.