SCHEMBL7717217

SCHEMBL7717217

CC1CNCCCC1C1C(=O)N(C)C(=O)N(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR2B P41595 1/20 0.30
HTR3A P46098 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL7719021 0.90 ALDH1A1 (0.31)
SCHEMBL7718605 0.82 MAPT (0.33)
SCHEMBL7717193 0.72 PLG (0.32)
SCHEMBL7720030 0.71 PLG (0.30)
SCHEMBL7715784 0.71 ALDH1A1 (0.31)
SCHEMBL7719988 0.71
SCHEMBL7715838 0.71
SCHEMBL7717214 0.67 PLG (0.35)
SCHEMBL7717201 0.67
SCHEMBL7715966 0.66 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020037534-A1 Combinatorial preparation of a substance library with removal of a zwitterionic compound by precipitation BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 US disclosed
EP-1188732-A2 Combinatorial synthesis of a chemical library involving the separation of a zwitterionic compound by precipitation BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP 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-20020037534-A1 Combinatorial preparation of a substance library with removal of a zwitterionic compound by precipitation NEFM, PSPH, NGLY1 BACE1 607/4885HTR3E 3112/4885HTR3B 2864/4885

“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.