SCHEMBL3065447

SCHEMBL3065447

CCOC(=O)N1CCC2Cc3c(C)cc(-c4ccc(C(F)(F)F)cc4Cl)cc3C2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PGR P06401 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 1/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
DPP4 P27487 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 2/20 0.36
MAPK1 P28482 1/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL3065444 1.00 MEN1 (0.40) MEN1KMT2APGRCYP2D6CYP2C9
SCHEMBL3081855 0.84 MCHR1 (0.37) MAPT
SCHEMBL3081860 0.84 MCHR1 (0.37) MAPT
SCHEMBL3078391 0.81 MCHR1 (0.44)
SCHEMBL3078389 0.81 MCHR1 (0.44)
SCHEMBL3086546 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL3086550 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL3072765 0.75 HTR2A (0.35)
SCHEMBL3072767 0.75 HTR2A (0.35)
SCHEMBL3071759 0.74 MAPK1 (0.40) MEN1KMT2AALDH1A1GAADPP4

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 3546/4885PGR 1189/4885

“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.