SCHEMBL4423697

SCHEMBL4423697

O=C(NCC1C2CNCC21)c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
USP30 Q70CQ3 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 3/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
F10 P00742 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL4421349 0.94 NPC1 (0.49) NPC1USP30RAB9ASMN1; SMN2HPGD
SCHEMBL4419241 0.82 USP30 (0.53) NPC1USP30RAB9ASMN1; SMN2HPGD
SCHEMBL4413697 0.82 USP30 (0.53) NPC1USP30RAB9ASMN1; SMN2HPGD
SCHEMBL4425821 0.81 USP30 (0.54) NPC1USP30RAB9ASMN1; SMN2HPGD
SCHEMBL4552123 0.81 USP30 (0.52) NPC1USP30RAB9ASMN1; SMN2HPGD
SCHEMBL4412120 0.81 USP30 (0.51) NPC1USP30RAB9ASMN1; SMN2HPGD
SCHEMBL4419281 0.81 USP30 (0.51) NPC1USP30RAB9ASMN1; SMN2HPGD
SCHEMBL4419218 0.81 USP30 (0.51) NPC1USP30RAB9ASMN1; SMN2HPGD
SCHEMBL4419964 0.81 KDM4C (0.50) NPC1USP30SMN1; SMN2TP53LMNA
SCHEMBL4421404 0.81 NPC1 (0.49) NPC1USP30RAB9ASMN1; SMN2HPGD

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 6 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 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 NPC1 301/4885USP30 4095/4885RAB9A 816/4885

“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.