SCHEMBL7792984

SCHEMBL7792984

[CH2]Cc1ccc(OCC2CC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.50
PDE4D Q08499 3/20 0.45
PDE4A P27815 2/20 0.45
PDE4C Q08493 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
CA2 P00918 3/20 0.44
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 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
SCHEMBL4422871 0.81 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL13412905 0.80 CA5A (0.57) PDE4BPDE4DPDE4APDE4CCA2
SCHEMBL217601 0.79 CA2 (0.68) SIGMAR1CA2ALDH1A1PPARGPPARD
SCHEMBL6943277 0.79 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CSIGMAR1
SCHEMBL16872415 0.79 HTR2A (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL14220730 0.79 ACHE (0.57) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL2125045 0.78 CALM1 (0.61) CA2ALDH1A1PPARGPPARDPPARA
SCHEMBL7324207 0.78 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CSIGMAR1
SCHEMBL14839667 0.78 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CSIGMAR1
SCHEMBL15711346 0.78 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CSIGMAR1

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-6221875-B1 TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL NEUROGEN CORPORATION 2001-04-24 US claimed
WO-1999051598-A1 SUBSTITUTED 9H-PYRIDINO[2,3-b]INDOLE AND 9H-PYRIMIDINO[4,5-b]INDOLE DERIVATIVES: SELECTIVE NEUROPEPTIDE y RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-10-14 WO 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 PDE4B 1144/4885PDE4D 997/4885PDE4A 1129/4885

“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.