SCHEMBL4421382

SCHEMBL4421382

CC(C)(C)c1ccc(C(=O)N2CC3C(CNc4ccc(N5CCCC5=O)cc4)C3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.49
ALDH1A1 P00352 6/20 0.49
F10 P00742 1/20 0.45
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 3/20 0.43
TSHR P16473 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
MITF O75030 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 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
SCHEMBL4421379 0.90 HSD17B10 (0.53) HPGDALDH1A1HSD17B10NPC1TSHR
SCHEMBL4418921 0.83 F10 (0.42) ALDH1A1F10HSD17B10NPC1TSHR
SCHEMBL4421599 0.81 AKR1C3 (0.53) NPC1TSHRRAB9ASMN1; SMN2TP53
SCHEMBL4420965 0.80 ALDH1A1 (0.53) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4418781 0.78 TSHR (0.44) HPGDALDH1A1TSHRRAB9ASMN1; SMN2
SCHEMBL4418919 0.77 MAPT (0.53) HPGDALDH1A1F10HSD17B10NPC1
SCHEMBL4430225 0.76 HRH3 (0.51) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4421597 0.75 AKR1C3 (0.51) HPGDALDH1A1HSD17B10NPC1RAB9A
SCHEMBL4414858 0.75 CRHBP (0.43) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2168038 0.75 HPGD (0.43) HPGDALDH1A1F10TSHRSMN1; 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 HPGD 2537/4885ALDH1A1 3166/4885F10 517/4885

“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.