SCHEMBL7788924

SCHEMBL7788924

Cc1cc(C)c(-n2c3ccccc3c3c(NC[C@@H]4CCCN4)nc(C)nc32)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.47
HTR6 P50406 3/20 0.38
MAOB P27338 2/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
SYK P43405 4/20 0.38
KCNH2 Q12809 3/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
AURKB Q96GD4 1/20 0.38
EHMT2 Q96KQ7 1/20 0.35
POLR1A O95602 1/20 0.35
PRKCI P41743 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL7557048 0.85 CRHR1 (0.52) CRHR1
SCHEMBL7792985 0.80 CRHR1 (0.48) CRHR1
SCHEMBL7788921 0.79 CRHR1 (0.49) CRHR1
SCHEMBL7681407 0.79 CRHR1 (0.54) CRHR1MAPK1
SCHEMBL7788898 0.79 CRHR1 (0.48) CRHR1MAPK1
SCHEMBL7788894 0.77 CRHR1 (0.62) CRHR1AURKB
SCHEMBL7791098 0.77 CRHR1 (0.47) CRHR1MAPK1
SCHEMBL7788903 0.77 CRHR1 (0.49) CRHR1MAPK1
SCHEMBL7788900 0.77 CRHR1 (0.50) CRHR1
SCHEMBL7783143 0.76 CRHR1 (0.51) CRHR1BCDIN3DSYKKCNH2

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 CRHR1 33/4885HTR6 77/4885MAOB 168/4885

“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.