SCHEMBL4412004

SCHEMBL4412004

Fc1cc(NCC2C3CN(Cc4cccc(OC(F)(F)F)c4)CC23)ccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
ABL1 P00519 1/20 0.46
DRD4 P21917 2/20 0.45
CHRM4 P08173 2/20 0.41
CETP P11597 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 3/20 0.38
DRD2 P14416 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
P2RY1 P47900 1/20 0.37
PRKDC P78527 1/20 0.37

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
SCHEMBL4411176 0.91 ABL1 (0.44) KCNH2ABL1DRD4CHRM4ALDH1A1
SCHEMBL4425285 0.90 KDM4E (0.43) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL4414138 0.89 KDM4E (0.52) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL2179983 0.88 KDM4E (0.42) ALDH1A1GAADRD2KDM4EHPGD
SCHEMBL4415858 0.87 FAAH (0.42) DRD4ALDH1A1MAPTGAADRD2
SCHEMBL4419245 0.86 NPC1 (0.46) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL4424484 0.85 LMNA (0.41) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL4412000 0.84 ABL1 (0.52) KCNH2ABL1CHRM4MAPTGAA
SCHEMBL4423662 0.83 CNR2 (0.42) DRD4ALDH1A1MAPTGAAKDM4E
SCHEMBL4413545 0.83 NPC1 (0.43) DRD4ALDH1A1MAPTGAAKDM4E

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 9 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
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 KCNH2 426/4885ABL1 1605/4885DRD4 80/4885

“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.