SCHEMBL4418779

SCHEMBL4418779

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CACNA1H O95180 1/20 0.40
NPC1 O15118 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
SCHEMBL4418781 0.88 TSHR (0.44) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4414550 0.83 TGM2 (0.45) TSHREPHX2NR1H4SMN1; SMN2MEN1
SCHEMBL4420964 0.83 ALDH1A1 (0.53) EPHX2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4414853 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL4421379 0.78 HSD17B10 (0.53) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4430223 0.78 HRH3 (0.52) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11515014 0.75 MLYCD (0.61) TSHREPHX2NR1H4SMN1; SMN2MEN1
SCHEMBL4415367 0.75 CACNA1H (0.38) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL4415018 0.74 USP30 (0.52) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2169151 0.74 MAPT (0.42) TSHRNR1H4SMN1; SMN2MEN1KMT2A

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 12 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
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 TSHR 1525/4885EPHX2 3183/4885NR1H4 1055/4885

“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.