SCHEMBL4413699

SCHEMBL4413699

Fc1ccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.40
USP30 Q70CQ3 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
PRKAA2 P54646 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIK3CA P42336 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH2 P05091 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
SCHEMBL4412370 0.94 L3MBTL1 (0.44) GAANPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4552124 0.93 P2RX3 (0.43) GAANPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL2170676 0.92 LMNA (0.44) GAANPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4412123 0.92 L3MBTL1 (0.41) GAANPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4417596 0.92 GAA (0.42) GAANPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4419284 0.92 NPC1 (0.43) GAANPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4419245 0.92 NPC1 (0.46) GAANPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4415911 0.91 LMNA (0.40) GAANPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4414914 0.90 HIF1A (0.47) GAANPC1RAB9AL3MBTL1HTT
SCHEMBL4421360 0.90 NPC1 (0.43) GAANPC1RAB9AL3MBTL1SMN1; SMN2

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 GAA 1239/4885NPC1 301/4885RAB9A 816/4885

“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.