SCHEMBL2180736

SCHEMBL2180736

Cc1ccccc1CN1CC2C(CNc3ccc(N4CCOCC4)c(F)c3)C2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 2/20 0.46
GAA P10253 3/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
USP30 Q70CQ3 1/20 0.40
MAOB P27338 3/20 0.39
LMNA P02545 1/20 0.39
MAOA P21397 1/20 0.39
PTGS1 P23219 1/20 0.39
CALML3 P27482 1/20 0.39
SDHA P31040 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
DGAT1 O75907 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
SCHEMBL4421469 0.87 PIK3C2B (0.45) GAAALOX15MAPK1L3MBTL1NPC1
SCHEMBL4419245 0.86 NPC1 (0.46) GAAALOX15MAPK1L3MBTL1NPC1
SCHEMBL2170676 0.85 LMNA (0.44) GAAL3MBTL1NPC1RAB9AMAPT
SCHEMBL4424484 0.84 LMNA (0.41) GAAALOX15MAPK1L3MBTL1NPC1
SCHEMBL4421360 0.83 NPC1 (0.43) GAAALOX15MAPK1L3MBTL1NPC1
SCHEMBL4422629 0.83 ALDH1A1 (0.41) GAAALOX15MAPK1L3MBTL1NPC1
SCHEMBL2178940 0.83 HRH3 (0.47) GAAMAPK1L3MBTL1NPC1RAB9A
SCHEMBL4412123 0.83 L3MBTL1 (0.41) GAAALOX15MAPK1L3MBTL1NPC1
SCHEMBL2180733 0.83 NPC1 (0.50) CYP2A13GAAALOX15MAPK1L3MBTL1
SCHEMBL4413699 0.82 GAA (0.48) GAAL3MBTL1NPC1RAB9AMAPT

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 10 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
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 CYP2A13 1550/4885GAA 1239/4885ALOX15 3524/4885

“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.