SCHEMBL4419281

SCHEMBL4419281

O=C(NCC1C2CN(Cc3ccc(Br)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.51
NPC1 O15118 5/20 0.48
SLC6A5 Q9Y345 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
F10 P00742 1/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41

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
SCHEMBL4413697 0.93 USP30 (0.53) USP30NPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4552123 0.92 USP30 (0.52) USP30NPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4412120 0.91 USP30 (0.51) USP30NPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4419241 0.91 USP30 (0.53) USP30NPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4415909 0.90 USP30 (0.51) USP30NPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4421358 0.90 USP30 (0.50) USP30NPC1SMN1; SMN2TSHRRAB9A
SCHEMBL4420887 0.89 USP30 (0.49) USP30NPC1SLC6A5SMN1; SMN2TSHR
SCHEMBL4415679 0.89 USP30 (0.50) USP30NPC1SLC6A5SMN1; SMN2TSHR
SCHEMBL4414366 0.89 USP30 (0.49) USP30NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL2179227 0.88 USP30 (0.49) USP30NPC1SMN1; SMN2TSHRRAB9A

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 USP30 4095/4885NPC1 301/4885SLC6A5 1/4885

“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.