SCHEMBL6330769

SCHEMBL6330769

C#CCN(C(=O)C(F)(F)F)[C@H]1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.41
PYCR1 P32322 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM1A O60341 1/20 0.35
NR3C1 P04150 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
PNMT P11086 3/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL5899576 0.83 ACHE (0.46) ACHEPYCR1MAOAMAOBDRD2
SCHEMBL6267123 0.83 ACHE (0.43) ACHEMAOAMAOBDRD2HTR2A
SCHEMBL10820372 0.80 MAOA (0.56) ACHEMAOAMAOB
SCHEMBL6262149 0.79 MAOA (0.59) ACHEPYCR1HSP90AA1MAOAMAOB
SCHEMBL8788691 0.77 ALDH1A1 (0.43)
SCHEMBL14053434 0.72 GRIN2B (0.39) HSP90AA1PNMTADRA2A
SCHEMBL29113464 0.70 ACHE (0.49) ACHEHSP90AA1PNMTADRA2A
SCHEMBL6263299 0.69 KMT2A (0.45) HSP90AA1KDM1ANR3C1DRD2PNMT
SCHEMBL5899524 0.67 MAOA (0.62) ACHEMAOAMAOB
SCHEMBL3300396 0.66 ACHE (0.49) ACHEMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197365-A1 Diamino thiazoloindan derivatives and their use TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2005-09-08 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-20050197365-A1 Diamino thiazoloindan derivatives and their use RTN3, RTN4, DRD4 ACHE 3951/4885PYCR1 1554/4885HSP90AA1 4588/4885

“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.