SCHEMBL7791789

SCHEMBL7791789

COc1ccc(CC(=O)NCCNc2nc(C)nc3c2c2ccccc2n3-c2c(C)cc(C)cc2C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CRHR1 P34998 2/20 0.42
TP53 P04637 2/20 0.42
BRD4 O60885 1/20 0.41
QPCT Q16769 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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 0.85 MAPT (0.48) MAPTSMN1; SMN2CRHR1TP53POLB
SCHEMBL7783151 0.82 HSD17B10 (0.43) MAPTSMN1; SMN2ALDH1A1TP53POLB
SCHEMBL7783167 0.82 TP53 (0.39) MAPTTP53
SCHEMBL7791093 0.76 CA1 (0.39) MAPTTP53POLB
SCHEMBL7792997 0.76 CRHR1 (0.54) ALDH1A1CRHR1
SCHEMBL7788894 0.75 CRHR1 (0.62) CRHR1
SCHEMBL7791863 0.75 TP53 (0.42) MAPTSMN1; SMN2CRHR1TP53LMNA
SCHEMBL7783154 0.74 CRHR1 (0.50) MAPTSMN1; SMN2ALDH1A1CRHR1TP53
SCHEMBL7788898 0.71 CRHR1 (0.48) MAPTALDH1A1CRHR1TP53LMNA
SCHEMBL7557048 0.70 CRHR1 (0.52) CRHR1MEN1KMT2A

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 3 patents. 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
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 disclosed
US-6221875-B1 TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL NEUROGEN CORPORATION 2001-04-24 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-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 MAPT 3767/4885SMN1; SMN2 2153/4885ALDH1A1 3312/4885

“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.