SCHEMBL4414552

SCHEMBL4414552

CCN(CC)C(=O)c1ccc(NCC2C3CN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC23)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.44
PABPC1 P11940 1/20 0.42
HSD11B1 P28845 4/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TGM2 P21980 1/20 0.39
GAA P10253 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
SCHEMBL4414550 0.89 TGM2 (0.45) TRPV4PABPC1HSD11B1MEN1KMT2A
SCHEMBL4418781 0.84 TSHR (0.44) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL4421366 0.81 ALDH1A1 (0.55) TRPV4MEN1KMT2ALMNAHTT
SCHEMBL2168860 0.75 LMNA (0.40) HSD11B1MEN1KMT2APOLBLMNA
SCHEMBL4421599 0.75 AKR1C3 (0.53) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL18887242 0.73 LMNA (0.39) HSD11B1ABL1RIN1MEN1KMT2A
SCHEMBL4418779 0.72 TSHR (0.47) MEN1KMT2APOLBLMNAHTT
SCHEMBL11515014 0.71 MLYCD (0.61) MEN1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL2182456 0.71 ALDH1A1 (0.48) HSD11B1ABL1MEN1KMT2ASMN1; SMN2
SCHEMBL4421362 0.70 ALDH1A1 (0.56) KMT2APOLBLMNAHTTSMN1; 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 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 TRPV4 1335/4885PABPC1 4014/4885HSD11B1 2072/4885

“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.