SCHEMBL6928738

SCHEMBL6928738

CCCOc1ccccc1C1CCN(CCCCn2ccn(C34CC5CC(CC(C5)C3)C4)c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
HRH2 P25021 3/20 0.40
EPHX2 P34913 6/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL6928733 0.87 DRD2 (0.39) DRD2EPHX2HTR2CHTR1DMEN1
SCHEMBL6927072 0.82 DRD2 (0.44) DRD2HRH2EPHX2ALDH1A1LMNA
SCHEMBL6928660 0.80 PARP1 (0.38) DRD2EPHX2HTR2AHTR2CHTR2B
SCHEMBL6927956 0.79 DRD2 (0.45) DRD2HRH2HTR2AHTR2CHTR2B
SCHEMBL6926645 0.75 DRD2 (0.56) DRD2HRH2HTR2AHTR2CHTR2B
SCHEMBL6922568 0.70 DRD2 (0.47) DRD2HTR2AALDH1A1LMNAHTR1D
SCHEMBL6924581 0.69 DRD2 (0.46) DRD2ALDH1A1HTR1DHTR1BMEN1
SCHEMBL6928842 0.69 DRD2 (0.47) DRD2HRH2HTR2AHTR1AHTR7
SCHEMBL6927067 0.69 DRD2 (0.40) DRD2EPHX2HTR2CMEN1KMT2A
SCHEMBL6928656 0.68 PARP1 (0.39) DRD2HTR2AHTR2CHTR2BHTR1A

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 DRD2 7/4885HRH2 51/4885EPHX2 853/4885

“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.