SCHEMBL3086550

SCHEMBL3086550

CCOC(=O)N1CCC2Cc3c(C)cc(-c4ccccc4)cc3C2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BRD4 O60885 1/20 0.42
P2RY12 Q9H244 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.40
CHRM1 P11229 3/20 0.40
CHRM5 P08912 1/20 0.40
GAA P10253 1/20 0.40
CCR6 P51684 1/20 0.40

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
SCHEMBL3086546 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL3078772 0.83 MEN1 (0.45) ALDH1A1KDM4EMEN1KMT2ABRD4
SCHEMBL3078768 0.83 MEN1 (0.45) ALDH1A1KDM4EMEN1KMT2ABRD4
SCHEMBL3071759 0.82 MAPK1 (0.40) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL3071763 0.82 MAPK1 (0.40) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL3077446 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ABRD4
SCHEMBL3077450 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ABRD4
SCHEMBL3072579 0.79 MAPT (0.39) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL3072580 0.79 MAPT (0.39) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL3065447 0.79 MEN1 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A

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 1925/4885KDM4E 3626/4885HPGD 1314/4885

“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.