SCHEMBL6924528

SCHEMBL6924528

COC(CNC(=O)CCCO)OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.37
PTPN1 P18031 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NAAA Q02083 1/20 0.35
LPAR1 Q92633 1/20 0.35
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL30366355 0.86 MEN1 (0.41) RECQLTSHRHPGDMEN1KMT2A
SCHEMBL29010635 0.83 TSHR (0.43) RECQLTSHRHPGDGAAMEN1
SCHEMBL5572365 0.83 TSHR (0.56) RECQLTSHRHPGDGAAMEN1
SCHEMBL18373774 0.83 FAAH (0.55) RECQLMEN1KMT2ALPAR1FAAH
SCHEMBL5572803 0.80 TSHR (0.41) RECQLTSHRHPGDGAAMEN1
SCHEMBL5666064 0.78 MEN1 (0.37) RECQLTSHRHPGDMEN1KMT2A
SCHEMBL19743724 0.78 TLR2 (0.44) RECQLHPGDGAAMEN1KMT2A
SCHEMBL2296514 0.78 PHF8 (0.42) RECQLTSHRMEN1KMT2A
SCHEMBL6344936 0.78 HPGD (0.54) RECQLHPGDPTPN1EPHX2
SCHEMBL8179403 0.77 MEN1 (0.37) RECQLTSHRHPGDMEN1KMT2A

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 RECQL 3230/4885TSHR 137/4885HPGD 1640/4885

“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.