SCHEMBL3077446

SCHEMBL3077446

CCOC(=O)N1CC[C@@H]2Cc3c(C)cccc3[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
BRD4 O60885 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCR6 P51684 1/20 0.44
ALOX15 P16050 1/20 0.43
CHRM1 P11229 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
DPP4 P27487 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3077450 1.00 ALDH1A1 (0.47) ALDH1A1MAPTBRD4MEN1KMT2A
SCHEMBL3086550 0.82 ALDH1A1 (0.42) ALDH1A1MAPTBRD4MEN1KMT2A
SCHEMBL3086546 0.82 ALDH1A1 (0.42) ALDH1A1MAPTBRD4MEN1KMT2A
SCHEMBL3071763 0.81 MAPK1 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3071759 0.81 MAPK1 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL12430153 0.78 BRD4 (0.45) ALDH1A1MAPTBRD4MEN1KMT2A
SCHEMBL3078768 0.78 MEN1 (0.45) ALDH1A1MAPTBRD4MEN1KMT2A
SCHEMBL3078772 0.78 MEN1 (0.45) ALDH1A1MAPTBRD4MEN1KMT2A
SCHEMBL12430160 0.76 POLB (0.41) ALDH1A1BRD4KMT2AGAACHRM1
SCHEMBL3090108 0.76 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AALOX15

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-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A ALDH1A1 1925/4885MAPT 2411/4885BRD4 3961/4885

“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.