SCHEMBL6928645

SCHEMBL6928645

CCCOc1ccccc1C1=CCN(CCCCN2CCN(C3CCCCC3)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD2 P14416 2/20 0.36
CACNA1G O43497 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR6 P50406 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
SCHEMBL6926472 0.89 PARP1 (0.38) PARP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6928639 0.87 PARP1 (0.40) PARP1PPARGPPARADRD2CACNA1G
Oxalic Acid SCHEMBL6922849 0.83 CACNA1G (0.41) PARP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6930016 0.82 PARP1 (0.39) PARP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6922568 0.80 DRD2 (0.47) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL6928545 0.80 DRD2 (0.42) PARP1PPARGPPARAPKMDRD2
SCHEMBL6924581 0.79 DRD2 (0.46) ALDH1A1KDM4EKMT2AMEN1TP53
SCHEMBL6926357 0.79 DRD2 (0.52) ALDH1A1KDM4EDRD2
SCHEMBL6928925 0.78 DRD2 (0.47) ALDH1A1KMT2AMEN1TP53DRD2
SCHEMBL8149460 0.76 PARP1 (0.36) PARP1DRD2HTR6

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 PARP1 2749/4885ALDH1A1 1683/4885KDM4E 3785/4885

“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.