SCHEMBL4421484

SCHEMBL4421484

CCc1ccc(CN2CC3C(CO)C3C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.53
S1PR5 Q9H228 3/20 0.53
POLB P06746 2/20 0.46
GBA1 P04062 3/20 0.44
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
FAAH O00519 1/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR4 O95977 1/20 0.39

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
SCHEMBL13573571 0.83 GBA1 (0.59) S1PR1S1PR5GBA1HRH4HRH3
SCHEMBL5793338 0.82 FUCA1 (0.58) S1PR1S1PR5GBA1DRD2DRD3
SCHEMBL15477204 0.82 FUCA1 (0.58) S1PR1S1PR5GBA1DRD2DRD3
SCHEMBL1010709 0.82 FUCA1 (0.58) S1PR1S1PR5GBA1DRD2DRD3
SCHEMBL3335710 0.82 FUCA1 (0.58) S1PR1S1PR5GBA1DRD2DRD3
SCHEMBL20804087 0.82 ALDH1A1 (0.47) S1PR1GBA1HRH4HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL14780326 0.81 FUCA1 (0.56) S1PR1S1PR5GBA1DRD2DRD3
Hydrochloric Acid SCHEMBL14780325 0.81 FUCA1 (0.56) S1PR1S1PR5GBA1DRD2DRD3
SCHEMBL16081738 0.79 S1PR1 (0.51) S1PR1S1PR5POLBHRH4HRH3
SCHEMBL4426362 0.79 S1PR1 (0.51) S1PR1S1PR5POLBHRH4HRH3

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 3 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
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 S1PR1 1598/4885S1PR5 1488/4885POLB 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.