SCHEMBL4417570

SCHEMBL4417570

CC(C)(C)c1ccc(C(=O)N2CC3C(CC4C[CH]CCN4C4CCOCC4)C3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4412354 0.85 SMN1; SMN2 (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4424631 0.85 MAPT (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2179889 0.79 SMN1; SMN2 (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4412357 0.77 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2179890 0.75 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4423767 0.74 SMN1; SMN2 (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4412425 0.74 L3MBTL3 (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4420964 0.72 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4420965 0.71 ALDH1A1 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4414853 0.71 SMN1; SMN2 (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1368/4885MEN1 4107/4885KMT2A 1892/4885

“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.