SCHEMBL2179233

SCHEMBL2179233

CCCCc1ccc(CN2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
S1PR1 P21453 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ALDH2 P05091 1/20 0.37
USP30 Q70CQ3 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
CALML3 P27482 1/20 0.36
SDHA P31040 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
SCHEMBL4412123 0.91 L3MBTL1 (0.41) MAOBLMNAL3MBTL1NPC1S1PR1
SCHEMBL2170676 0.89 LMNA (0.44) MAOBLMNAL3MBTL1NPC1MAPT
SCHEMBL4412370 0.89 L3MBTL1 (0.44) MAOBLMNAL3MBTL1NPC1MAPT
SCHEMBL4413699 0.89 GAA (0.48) LMNAL3MBTL1NPC1MAPTGAA
SCHEMBL4552124 0.88 P2RX3 (0.43) LMNAL3MBTL1NPC1MAPTGAA
SCHEMBL4419284 0.87 NPC1 (0.43) LMNAL3MBTL1NPC1MAPTGAA
SCHEMBL4417596 0.87 GAA (0.42) MAOBLMNAL3MBTL1NPC1MAPT
SCHEMBL4413306 0.87 L3MBTL1 (0.49) L3MBTL1NPC1S1PR1MAPTGAA
SCHEMBL4419245 0.87 NPC1 (0.46) LMNAL3MBTL1NPC1MAPTGAA
SCHEMBL6506969 0.86 ALDH1A1 (0.50) LMNAL3MBTL1MAPTGAAALDH2

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 8 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
JP-4732354-B2 2011-07-27 JP 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 MAOB 307/4885LMNA 4565/4885ALOX12 4206/4885

“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.