SCHEMBL4419284

SCHEMBL4419284

Fc1cc(NCC2C3CN(Cc4ccc(Br)cc4)CC23)ccc1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.43
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.39
USP30 Q70CQ3 1/20 0.39
RAB9A P51151 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CCR5 P51681 1/20 0.38
PKM P14618 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 0.92 L3MBTL1 (0.44) NPC1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL4413699 0.92 GAA (0.48) NPC1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL4552124 0.91 P2RX3 (0.43) NPC1MAPTSMN1; SMN2TSHRMAPK1
SCHEMBL2170676 0.90 LMNA (0.44) NPC1MAPTSMN1; SMN2L3MBTL1GAA
SCHEMBL4412123 0.90 L3MBTL1 (0.41) NPC1MAPTSMN1; SMN2MAPK1HSD17B10
SCHEMBL4417596 0.90 GAA (0.42) NPC1MAPTSMN1; SMN2TSHRL3MBTL1
SCHEMBL4419245 0.90 NPC1 (0.46) NPC1MAPTSMN1; SMN2TSHRMAPK1
SCHEMBL4415911 0.89 LMNA (0.40) NPC1MAPTSMN1; SMN2TSHRHSD17B10
SCHEMBL4421360 0.89 NPC1 (0.43) NPC1MAPTSMN1; SMN2TSHRMAPK1
SCHEMBL4414914 0.89 HIF1A (0.47) NPC1TSHRL3MBTL1GAAHTT

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 NPC1 301/4885MAPT 1368/4885SMN1; SMN2 4003/4885

“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.