SCHEMBL7791783

SCHEMBL7791783

[CH2]CC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.70
TSHR P16473 3/20 0.66
HPGD P15428 2/20 0.66
PKM P14618 1/20 0.66
CTNNB1 P35222 10/20 0.64
WNT3A P56704 6/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
KDM4E B2RXH2 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 3/20 0.58
TP53 P04637 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
KLF5 Q13887 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL653025 0.85 PKM (0.87) ATMTSHRHPGDPKMCTNNB1
SCHEMBL4831672 0.84 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL1535157 0.84 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL5370469 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL13715357 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL13785039 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL627847 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL2840339 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL5808134 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL1092875 0.82 ATM (1.00) ATMTSHRHPGDPKMCTNNB1

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 4 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-6221875-B1 TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL NEUROGEN CORPORATION 2001-04-24 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 ATM 4355/4885TSHR 117/4885HPGD 933/4885

“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.