SCHEMBL4421535

SCHEMBL4421535

COc1cc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.43
GAA P10253 6/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MTOR P42345 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HSP90AB1 P08238 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KCNH2 Q12809 1/20 0.38
ALOX15 P16050 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL4415239 0.87 SMN1; SMN2 (0.46) ALDH2MAPK1MAPTLMNAKDM4E
SCHEMBL4425285 0.85 KDM4E (0.43) ALDH2GAAMAPK1MAPTALDH1A1
SCHEMBL4412123 0.84 L3MBTL1 (0.41) ALDH2GAAMAPK1MAPTALDH1A1
SCHEMBL2170676 0.84 LMNA (0.44) ALDH2GAAMAPTALDH1A1MTOR
SCHEMBL4419245 0.84 NPC1 (0.46) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL4412370 0.84 L3MBTL1 (0.44) GAAMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL4413699 0.84 GAA (0.48) ALDH2GAAMAPTALDH1A1LMNA
SCHEMBL4421533 0.83 MTOR (0.49) ALDH2MAPTALDH1A1MTORLMNA
SCHEMBL4552124 0.83 P2RX3 (0.43) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL4423643 0.83 NPC1 (0.41) ALDH2GAAMAPTALDH1A1LMNA

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 ALDH2 4201/4885GAA 1239/4885MAPK1 2572/4885

“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.