SCHEMBL4412420

SCHEMBL4412420

CC(C)(C)c1ccc(C(=O)N2CC3C(CNC(=O)C4CCC(N5CCOCC5)CC4)C3C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.43
JAK1 P23458 2/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4412425 0.87 L3MBTL3 (0.47) RAB9ASMN1; SMN2POLBALDH1A1L3MBTL3
SCHEMBL4420964 0.82 ALDH1A1 (0.53) RAB9ASMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL4412357 0.81 MEN1 (0.44) RAB9ASMN1; SMN2POLBALDH1A1L3MBTL3
SCHEMBL2179889 0.79 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL2179890 0.79 MEN1 (0.44) RAB9ASMN1; SMN2POLBALDH1A1L3MBTL3
SCHEMBL4423767 0.78 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2POLBALDH1A1L3MBTL3
SCHEMBL4412354 0.78 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL4420965 0.77 ALDH1A1 (0.53) RAB9ASMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL4430223 0.77 HRH3 (0.52) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17886717 0.77 L3MBTL3 (0.73) SMN1; SMN2ALDH1A1L3MBTL3L3MBTL1MEN1

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 12 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
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP disclosed
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US disclosed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO 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 RAB9A 816/4885SMN1; SMN2 4003/4885POLB 2927/4885

“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.