SCHEMBL4414550

SCHEMBL4414550

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.45
HSD11B1 P28845 4/20 0.43
TRPV4 Q9HBA0 3/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PABPC1 P11940 1/20 0.41
LMNA P02545 1/20 0.41
USP5 P45974 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4414552 0.89 TRPV4 (0.44) TGM2HSD11B1TRPV4TSHRMEN1
SCHEMBL4418779 0.83 TSHR (0.47) TSHRMEN1KMT2AEPHX2NR1H4
SCHEMBL4421362 0.81 ALDH1A1 (0.56) KMT2APOLBHTTSMN1; SMN2LMNA
SCHEMBL4421597 0.79 AKR1C3 (0.51) MEN1KMT2ALMNAALDH1A1
SCHEMBL4419256 0.76 MAOA (0.50) HSD11B1MEN1KMT2APOLBHTT
SCHEMBL2168860 0.76 LMNA (0.40) HSD11B1MEN1KMT2APOLBHTT
SCHEMBL18887242 0.74 LMNA (0.39) HSD11B1MEN1KMT2APOLBHTT
SCHEMBL4418781 0.72 TSHR (0.44) TSHRMEN1KMT2ACA1CA2
SCHEMBL11515014 0.72 MLYCD (0.61) TSHRMEN1KMT2AEPHX2NR1H4
SCHEMBL4422644 0.71 USP30 (0.46) TSHRMEN1KMT2AHTTSMN1; 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 TGM2 334/4885HSD11B1 2072/4885TRPV4 1335/4885

“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.