SCHEMBL3078768

SCHEMBL3078768

CCOC(=O)N1CC[C@@H]2Cc3c(C)cc(NCc4ccccc4)cc3[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR8 P51685 1/20 0.44
P2RY12 Q9H244 1/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CHRM5 P08912 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL3078772 1.00 MEN1 (0.45) MEN1KMT2ACCR8P2RY12GAA
SCHEMBL3086546 0.83 ALDH1A1 (0.42) MEN1KMT2AP2RY12GAAALDH1A1
SCHEMBL3086550 0.83 ALDH1A1 (0.42) MEN1KMT2AP2RY12GAAALDH1A1
SCHEMBL3087627 0.83 OPRD1 (0.39) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3071759 0.78 MAPK1 (0.40) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL3071763 0.78 MAPK1 (0.40) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL3077446 0.78 ALDH1A1 (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL3077450 0.78 ALDH1A1 (0.47) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL12430160 0.70 POLB (0.41) KMT2AGAATSHRALDH1A1CHRM1
SCHEMBL12430153 0.69 BRD4 (0.45) MEN1KMT2AALDH1A1MAPTCHRM1

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 MEN1 2162/4885KMT2A 3546/4885CCR8 1804/4885

“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.