SCHEMBL4424423

SCHEMBL4424423

O=S(=O)(Cc1ccc(F)cc1)N1CC2C([CH]c3ccc(N4CCOCC4)c(F)c3)C2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
MAOB P27338 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.36
USP30 Q70CQ3 1/20 0.36
NPC1 O15118 1/20 0.36
AKT1 P31749 2/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
ATM Q13315 2/20 0.36
KDM1A O60341 1/20 0.36
EGFR P00533 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR183 P32249 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4552000 0.79 GAA (0.46) ALDH1A1GAAMAOBMAPTLMNA
SCHEMBL4551999 0.78 MAPT (0.47) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL4421354 0.76 SLC6A9 (0.43) ALDH1A1KDM4EMAOBMAPTLMNA
SCHEMBL4420883 0.75 LMNA (0.45) ALDH1A1GAAMAPTLMNAPIK3CA
SCHEMBL4424440 0.74 HSD11B1 (0.41) KDM4EGAAMAOBMAPTLMNA
SCHEMBL4430192 0.73 MCOLN3 (0.44) ALDH1A1GAAMAPTLMNAKDM1A
SCHEMBL4431014 0.73 LMNA (0.43) ALDH1A1KDM4EGAALMNAKDM1A
SCHEMBL4417947 0.72 P2RX3 (0.40) ALDH1A1KDM4EGAAMAOBMAPT
SCHEMBL4415701 0.72 MAPT (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL2182100 0.71 LDHA (0.44) ALDH1A1KDM4EGAAMAOBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3166/4885KDM4E 2032/4885CYP1A2 1097/4885

“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.