SCHEMBL4415522

SCHEMBL4415522

O=C(NCC1C2CN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.48
USP30 Q70CQ3 4/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 4/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CD274 Q9NZQ7 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
SCHEMBL4419964 0.97 KDM4C (0.50) KDM4CUSP30ALDH1A1NPC1POLB
SCHEMBL4418887 0.94 SMN1; SMN2 (0.48) USP30ALDH1A1NPC1POLBRAB9A
SCHEMBL4414932 0.91 USP30 (0.48) KDM4CUSP30ALDH1A1NPC1POLB
SCHEMBL4425187 0.91 LMNA (0.55) USP30ALDH1A1NPC1MEN1KMT2A
SCHEMBL4417962 0.91 ALDH1A1 (0.50) USP30ALDH1A1NPC1POLBMEN1
SCHEMBL4423692 0.89 USP30 (0.47) USP30ALDH1A1NPC1POLBMEN1
SCHEMBL4425266 0.88 USP30 (0.50) USP30ALDH1A1NPC1POLBMEN1
SCHEMBL4419256 0.88 MAOA (0.50) KDM4CUSP30ALDH1A1NPC1POLB
SCHEMBL4415073 0.88 L3MBTL1 (0.50) USP30ALDH1A1POLBRAB9AMEN1
SCHEMBL4413649 0.88 MAPK1 (0.47) USP30ALDH1A1NPC1POLBRAB9A

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 9 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
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 KDM4C 2388/4885USP30 4095/4885ALDH1A1 3166/4885

“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.