SCHEMBL13810951

SCHEMBL13810951

COc1cc(Br)cc2cc(C)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.59
MAOB P27338 2/20 0.52
TP53 P04637 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
F2RL3 Q96RI0 3/20 0.46
MAPT P10636 2/20 0.41
ALDH1A1 P00352 4/20 0.41
PRNP P04156 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
NQO2 P16083 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL14197696 0.81 ACHE (0.45) PIM1MAOBMAPTALDH1A1HPGD
SCHEMBL13824868 0.79 ALDH1A1 (0.40) PIM1MAOBMAPTALDH1A1HPGD
SCHEMBL20561923 0.78 KDM4E (0.39) PIM1MAOBMAPTALDH1A1HPGD
SCHEMBL18325795 0.77 PIM1 (0.55) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL18858490 0.77 PIM1 (0.55) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL26756471 0.76 MAOB (0.50) MAOBMAPTALDH1A1PRNPNPSR1
SCHEMBL26756499 0.76 MAOA (0.41) PIM1MAOBALDH1A1NQO2CYP1A2
SCHEMBL7389995 0.76 PIM1 (0.68) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL15259401 0.75 PIM1 (0.56) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL7382658 0.75 PIM1 (1.00) PIM1MAOBTP53RXFP1F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154973-B1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2018-03-21 EP disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 US disclosed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 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 (2 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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 PIM1 3375/4885MAOB 412/4885TP53 4553/4885
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 PIM1 4875/4885MAOB 153/4885TP53 1984/4885

“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.