SCHEMBL20151875

SCHEMBL20151875

O=COC1(Oc2cc(CN3CCNCC3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.65
CYP2D6 P10635 5/20 0.52
CYP3A4 P08684 5/20 0.52
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
USP2 O75604 5/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 1/20 0.39
HPGD P15428 1/20 0.38
GPR183 P32249 1/20 0.37
HIF1A Q16665 1/20 0.37
CHRM3 P20309 1/20 0.37
DDR1 Q08345 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
SCHEMBL29560940 0.80 CYP2D6 (0.52) MGLLCYP2D6CYP3A4TSHRMEN1
SCHEMBL20137096 0.80 CYP2D6 (0.52) MGLLCYP2D6CYP3A4TSHRMEN1
SCHEMBL20151874 0.80 MGLL (0.75) MGLLCYP2D6CYP3A4TSHRCYP2C19
SCHEMBL20151824 0.79 MGLL (1.00) MGLLCYP2D6
SCHEMBL20179998 0.77 CYP3A4 (0.56) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL20151869 0.76 MGLL (0.61) MGLLCYP2D6CYP3A4TSHRMEN1
SCHEMBL19262510 0.76 CYP2D6 (0.72) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL20676125 0.75 CYP2D6 (0.70) CYP2D6CYP3A4TSHRMEN1TP53
SCHEMBL28322502 0.73 CYP2D6 (0.48) MGLLCYP2D6CYP3A4TSHRMEN1
SCHEMBL28699525 0.72 CYP3A4 (0.47) MGLLCYP2D6CYP3A4TSHRMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL MGLL 3/4885CYP2D6 3916/4885CYP3A4 4468/4885

“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.