SCHEMBL6929462

SCHEMBL6929462

CC(C)Oc1cc(Cl)ccc1C1CCN(CCCCN2CCN(C3CCCCC3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
PTGDR Q13258 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PER2 O15055 1/20 0.36

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
SCHEMBL6922567 0.88 DRD2 (0.42) KCNH2DRD2MEN1KMT2APER2
SCHEMBL6924575 0.87 DRD2 (0.42) KCNH2DRD2MEN1KMT2APER2
SCHEMBL6929465 0.87 HTR1A (0.41) KCNH2DRD2DRD3PTGDR2MEN1
SCHEMBL6928917 0.86 DRD2 (0.42) KCNH2DRD2MEN1KMT2APER2
SCHEMBL6928602 0.84 PER2 (0.46) DRD2PTGDR2PER2
SCHEMBL6922897 0.84 PTGDR (0.39) KCNH2PTGDR2PTGDRPER2
SCHEMBL6928509 0.82 PTGDR2 (0.42) KCNH2DRD2DRD3PTGDR2PER2
SCHEMBL6928221 0.81 DRD2 (0.41) KCNH2DRD2MEN1KMT2APER2
SCHEMBL6927068 0.76 DRD2 (0.41) DRD2PTGDR2MEN1KMT2APER2
SCHEMBL6928224 0.76 PRMT5 (0.39) KCNH2DRD2DRD3PTGDR2MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands H. LUNDBECK A/S (DE) 2003-06-26 US disclosed
US-6514993-B1 Useful in the treatment of certain psychic and neurologic disorders H. LUNDBECK A/S (DK) 2003-02-04 US disclosed
EP-0770066-B1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2000-05-17 EP disclosed
EP-0770066-A1 SEROTONIN 5-HT 1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1997-05-02 EP disclosed
WO-1995033729-A1 SEROTONIN 5-HT1A AND DOPAMIN D2 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 1995-12-14 WO 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-20030120070-A1 Serotonin 5-HT1A and dopamin D2 receptor ligands HTR5A, HTR2C, HTR1D KCNH2 233/4885DRD2 7/4885DRD3 17/4885

“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.