SCHEMBL8328690

SCHEMBL8328690

CNCCCc1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.40
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.40
TMEM97 Q5BJF2 5/20 0.39
EBP Q15125 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRL1 P41146 1/20 0.36

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
SCHEMBL30494025 0.86 SIGMAR1 (0.40) SIGMAR1NUDT1BACE1TMEM97EBP
SCHEMBL25429497 0.82 OPRL1 (0.41) SIGMAR1OPRL1
SCHEMBL8330793 0.81 NUDT1 (0.52) SIGMAR1NUDT1BACE1TMEM97EBP
SCHEMBL11632591 0.81 SIGMAR1 (0.43) SIGMAR1NUDT1BACE1TMEM97EBP
SCHEMBL11675755 0.79 NUDT1 (0.45) SIGMAR1NUDT1BACE1TMEM97EBP
SCHEMBL11633835 0.78 SIGMAR1 (0.46) SIGMAR1NUDT1BACE1TMEM97EBP
SCHEMBL11799765 0.78 NUDT1 (0.44) SIGMAR1NUDT1BACE1TMEM97EBP
SCHEMBL27520139 0.78 NUDT1 (0.44) SIGMAR1NUDT1BACE1TMEM97EBP
SCHEMBL11674401 0.78 BACE1 (0.48) SIGMAR1NUDT1BACE1TMEM97EBP
Hydrochloric Acid SCHEMBL30343200 0.77 SIGMAR1 (0.45) SIGMAR1NUDT1BACE1TMEM97EBP

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-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP claimed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 WO claimed
US-20230364033-A1 COMPOUNDS FOR TREATING VIRUS INFECTIONS MELETIOS THERAPEUTICS (FR) 2023-11-16 US disclosed
EP-4213822-A1 COMPOUNDS FOR TREATING VIRUS INFECTIONS MELETIOS Therapeutics (FR) 2023-07-26 EP disclosed
EP-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 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-20230364033-A1 COMPOUNDS FOR TREATING VIRUS INFECTIONS ACE, HAVCR2, FURIN SIGMAR1 3429/4885NUDT1 379/4885BACE1 1832/4885

“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.