SCHEMBL7791863

SCHEMBL7791863

CCOc1ccc(CCNC(C)CNc2nc(C)nc3c2c2ccccc2n3-c2c(C)cc(C)cc2C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
CRHR1 P34998 2/20 0.41
THRB P10828 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 5/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
APP P05067 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
SCHEMBL7792988 0.82 MAPT (0.48) TP53CRHR1MAPTMAPK1LMNA
SCHEMBL6103775 0.78 CRHR1 (0.56) TP53CRHR1THRBMAPTMAPK1
SCHEMBL7791789 0.75 MAPT (0.42) TP53CRHR1MAPTMAPK1LMNA
SCHEMBL7783144 0.73 SIGMAR1 (0.40) TP53CRHR1MAPTLMNAHTT
SCHEMBL7791098 0.72 CRHR1 (0.47) TP53CRHR1MAPTMAPK1TSHR
SCHEMBL7783154 0.71 CRHR1 (0.50) TP53CRHR1MAPTLMNAHTT
SCHEMBL7791102 0.71 SIGMAR1 (0.40) CRHR1MAPTLMNAHTTRXFP1
SCHEMBL7788894 0.70 CRHR1 (0.62) CRHR1
SCHEMBL7783159 0.69 CRHR1 (0.53) CRHR1
SCHEMBL7783150 0.68 RECQL (0.38) TP53MAPTMAPK1LMNAHTT

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-20010031758-A1 Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands NEUROGEN CORPORATION 2001-10-18 US claimed

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-20010031758-A1 Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands NPY1R, NPY2R, NPY5R TP53 4450/4885CRHR1 33/4885THRB 143/4885

“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.