SCHEMBL4413649

SCHEMBL4413649

O=C(NCC1C2CN(S(=O)(=O)c3cccc(-c4ccccc4)c3)CC12)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
USP30 Q70CQ3 3/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SCN9A Q15858 1/20 0.43
POLB P06746 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
SCHEMBL4416373 0.94 LMNA (0.46) MAPK1SMN1; SMN2USP30ALDH1A1LMNA
SCHEMBL4418887 0.94 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2NPC1TP53HPGD
SCHEMBL4415522 0.88 KDM4C (0.48) SMN1; SMN2NPC1TP53RAB9AUSP30
SCHEMBL4419964 0.87 KDM4C (0.50) SMN1; SMN2NPC1TP53USP30ALDH1A1
SCHEMBL4417962 0.85 ALDH1A1 (0.50) SMN1; SMN2NPC1HPGDUSP30ALDH1A1
SCHEMBL4425187 0.85 LMNA (0.55) SMN1; SMN2NPC1TP53TSHRUSP30
SCHEMBL4414932 0.85 USP30 (0.48) MAPK1SMN1; SMN2NPC1TP53HPGD
SCHEMBL4413651 0.85 NPC1 (0.42) MAPK1SMN1; SMN2NPC1HPGDTSHR
SCHEMBL4413681 0.84 LMNA (0.44) MAPK1SMN1; SMN2NPC1HPGDUSP30
SCHEMBL4423692 0.84 USP30 (0.47) SMN1; SMN2NPC1HPGDTSHRUSP30

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 MAPK1 2572/4885SMN1; SMN2 4003/4885NPC1 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.