SCHEMBL7783172

SCHEMBL7783172

[CH2]Cc1ccc(OC2CCCCC2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.59
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
PDE4B Q07343 7/20 0.49
PDE4A P27815 7/20 0.47
CSNK2A1 P68400 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PDE3A Q14432 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL13111720 0.84 RECQL (0.61) RECQLHDAC1HDAC2PDE4BPDE4A
SCHEMBL3456387 0.83 RECQL (0.60) RECQLHDAC1HDAC2PDE4BPDE4A
SCHEMBL14244189 0.83 RECQL (0.60) RECQLHDAC1HDAC2PDE4BPDE4A
SCHEMBL13986189 0.83 RECQL (0.60) RECQLHDAC1HDAC2PDE4BPDE4A
SCHEMBL134754 0.83 RECQL (0.67) RECQLHDAC1HDAC2PDE4BPDE4A
SCHEMBL21255817 0.81 KDM4E (0.66) RECQLHDAC1HDAC2PDE4BPDE4A
SCHEMBL28012675 0.80 PTGDR2 (0.46) MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL7355268 0.79 KDM4E (0.64) RECQLHDAC1HDAC2PDE4BPDE4A
SCHEMBL6366618 0.78 RECQL (0.58) RECQLHDAC1HDAC2PDE4BPDE4A
SCHEMBL31661693 0.78 RECQL (0.58) RECQLHDAC1HDAC2PDE4BPDE4A

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 RECQL 3213/4885HDAC1 2558/4885HDAC2 2567/4885

“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.