SCHEMBL8401563

SCHEMBL8401563

BN(C)CCN(C)C(=O)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.45
DRD2 P14416 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
LMNA P02545 4/20 0.40
TSHR P16473 2/20 0.40
MAOA P21397 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR3A P46098 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MLYCD O95822 2/20 0.39
ESRRG P62508 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
SCHEMBL1409728 0.86 PHLPP2 (0.56) PHLPP2DRD2HDAC3HDAC1LMNA
SCHEMBL5123550 0.82 NAMPT (0.48) PHLPP2LMNATSHRMAOACYP2D6
SCHEMBL12459914 0.82 HDAC4 (0.48) PHLPP2DRD2HDAC3HDAC1LMNA
SCHEMBL93873 0.81 LMNA (0.56) PHLPP2DRD2HDAC3HDAC1LMNA
SCHEMBL15128280 0.79 DRD2 (0.46) PHLPP2DRD2HDAC3HDAC1LMNA
SCHEMBL380774 0.79 HDAC1 (0.45) PHLPP2HDAC3HDAC1LMNATSHR
SCHEMBL4488661 0.79 PHLPP2 (0.53) PHLPP2DRD2HDAC3HDAC1LMNA
SCHEMBL25526179 0.78 LMNA (0.48) PHLPP2LMNATSHRMAOACYP2D6
SCHEMBL28786558 0.78 PHLPP2 (0.44) PHLPP2DRD2HDAC3HDAC1LMNA
SCHEMBL24505748 0.77 ALDH1A1 (0.53) PHLPP2HDAC3HDAC1LMNATSHR

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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 PHLPP2 1171/4885DRD2 1603/4885HDAC3 432/4885

“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.