SCHEMBL2179980

SCHEMBL2179980

CCOc1cccc(CN2CC3C(CNC(=O)c4ccc(N5CCOCC5)c(F)c4)C3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.44
CHRM3 P20309 1/20 0.43
LMNA P02545 3/20 0.43
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
FAAH O00519 1/20 0.42
WDR5 P61964 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6506968 0.91 CACNA1B (0.52) USP30NPC1LMNACACNA1BAPBA1
SCHEMBL4419241 0.87 USP30 (0.53) USP30NPC1LMNAHPGDSMN1; SMN2
SCHEMBL4412120 0.85 USP30 (0.51) USP30NPC1LMNAHPGDSMN1; SMN2
SCHEMBL2179983 0.85 KDM4E (0.42) CACNA1BAPBA1SAE1UBA2FAAH
SCHEMBL4418912 0.84 CHRM4 (0.48) USP30NPC1FAAHHPGDSMN1; SMN2
SCHEMBL4413697 0.83 USP30 (0.53) USP30NPC1LMNAHPGDSMN1; SMN2
SCHEMBL4415909 0.83 USP30 (0.51) USP30NPC1LMNAHPGDSMN1; SMN2
SCHEMBL4552123 0.83 USP30 (0.52) USP30NPC1LMNAHPGDSMN1; SMN2
SCHEMBL4415735 0.83 USP30 (0.49) USP30NPC1LMNACACNA1BAPBA1
SCHEMBL2179227 0.82 USP30 (0.49) USP30NPC1LMNAHPGDSMN1; 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 8 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
JP-4732354-B2 2011-07-27 JP 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 USP30 4095/4885POLB 2927/4885NPC1 301/4885

“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.