SCHEMBL3857150

SCHEMBL3857150

CCOC(=O)N1CCc2c(c3cccc([N+](=O)[O-])c3n2C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSB P07858 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
GPR174 Q9BXC1 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL3859513 0.84 HDAC6 (0.50) KDM4EHDAC1HDAC10HDAC6AKR1B10
SCHEMBL3863830 0.84 HDAC6 (0.50) KDM4EHDAC1HDAC10HDAC6AKR1B10
SCHEMBL3858150 0.78 HDAC10 (0.47) KDM4EHDAC1HDAC10HDAC6AKR1B10
SCHEMBL3857762 0.77 HDAC6 (0.44) KDM4EHDAC1HDAC10HDAC6HRH2
SCHEMBL3867002 0.77 LMNA (0.56) KDM4EKMT2AMEN1L3MBTL1CTSB
SCHEMBL3859519 0.75 HDAC1 (0.43) KDM4EHDAC1HDAC10HDAC6AKR1B10
SCHEMBL5521947 0.73 HDAC1 (0.42) KDM4EHDAC1HDAC6HRH2HRH1
SCHEMBL9757419 0.73 KDM4E (0.51) KDM4EHRH2HRH1KMT2AMEN1
SCHEMBL23148492 0.73 PTGDR2 (0.59) HDAC1HDAC10HDAC6AKR1B10AKR1B1
SCHEMBL5515388 0.72 HDAC1 (0.42) KDM4EHDAC1HDAC10HDAC6AKR1B10

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-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR1D KDM4E 2453/4885HDAC1 1630/4885HDAC10 2365/4885

“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.