SCHEMBL4423700

SCHEMBL4423700

Fc1cc(NCC2C3CNCC32)ccc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDR P35968 1/20 0.42
SYK P43405 1/20 0.42
MAPT P10636 1/20 0.42
MAOB P27338 3/20 0.41
LMNA P02545 2/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 1/20 0.41
GAA P10253 3/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH2 P05091 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL4421351 0.91 NPC1 (0.47) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL6508133 0.81 HTT (0.45) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL16197778 0.80 HTT (0.48) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL8278308 0.80 HTT (0.48) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4423697 0.80 NPC1 (0.53) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4419245 0.79 NPC1 (0.46) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4413699 0.79 GAA (0.48) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4412370 0.79 L3MBTL1 (0.44) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL8287895 0.79 L3MBTL1 (0.47) HTTNPC1RAB9AKMT2AL3MBTL1
SCHEMBL4425822 0.79 USP30 (0.41) HTTNPC1RAB9AKMT2AL3MBTL1

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 6 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 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 HTT 1090/4885NPC1 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.