SCHEMBL3867002

SCHEMBL3867002

CCOC(=O)N1CCc2[nH]c3c([N+](=O)[O-])cccc3c2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
PABPC1 P11940 1/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 7/20 0.54
KDM4E B2RXH2 1/20 0.46
BAZ2B Q9UIF8 2/20 0.45
CFTR P13569 2/20 0.45
FBP1 P09467 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CTSB P07858 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
CHEK1 O14757 1/20 0.41
ABL1 P00519 1/20 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
SCHEMBL5512666 0.86 MAPT (0.53) LMNASMN1; SMN2PABPC1ATMMAPT
SCHEMBL3863241 0.84 LMNA (0.59) LMNASMN1; SMN2PABPC1ATMMAPT
SCHEMBL28694683 0.84 LMNA (0.59) LMNASMN1; SMN2PABPC1ATMMAPT
SCHEMBL5511729 0.81 LMNA (0.59) LMNASMN1; SMN2PABPC1ATMMAPT
SCHEMBL5511985 0.80 MAPT (0.56) LMNAMAPTBAZ2BCFTRFBP1
SCHEMBL940424 0.78 LMNA (0.74) LMNASMN1; SMN2PABPC1ATMMAPT
SCHEMBL3857150 0.77 KDM4E (0.48) LMNASMN1; SMN2PABPC1ATMMAPT
SCHEMBL1988306 0.76 LMNA (0.48) LMNASMN1; SMN2PABPC1ATMMAPT
SCHEMBL1988307 0.76 LMNA (0.48) LMNASMN1; SMN2PABPC1ATMMAPT
SCHEMBL5511793 0.74 LMNA (0.51) LMNASMN1; SMN2PABPC1ATMMAPT

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-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
WO-2005105082-A1 SUBSTITUTED HEXAHYDRO-PYRIDOINDOLE DERIVATIVES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-10 WO 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 LMNA 3302/4885SMN1; SMN2 2094/4885PABPC1 4743/4885

“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.