SCHEMBL4183880

SCHEMBL4183880

CCOC(=O)C1CCCN(CCCn2nnc(-c3cccc(I)c3)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4175138 0.87
SCHEMBL7837979 0.71 ALDH1A1 (0.59) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL4512497 0.71 ALDH1A1 (0.57) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL4506995 0.71 ALDH1A1 (0.59) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL8910367 0.71 L3MBTL1 (0.63) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL8910362 0.71 L3MBTL1 (0.63) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL8909943 0.70 ALDH1A1 (0.66) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL8909936 0.70 ALDH1A1 (0.66) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL8196728 0.70 SLC6A1 (0.63) HTR7HTR1ADRD2HTR2AKDM4E
SCHEMBL8196471 0.70 SLC6A1 (0.63) HTR7HTR1ADRD2HTR2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137637-A1 Tetrazolyl-Methylene Amino Acid Derivatives PFIZER INC. (US) 2009-05-28 US disclosed
EP-1828162-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-09-05 EP disclosed
WO-2006061706-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-06-15 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-20090137637-A1 Tetrazolyl-Methylene Amino Acid Derivatives MMP13, MMP11, MMP3 HTR7 2242/4885HTR1A 869/4885DRD2 4292/4885

“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.