SCHEMBL8260360

SCHEMBL8260360

COC(=O)CCC(=O)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
ALDH1A1 P00352 4/20 0.52
CTNNB1 P35222 1/20 0.51
WNT3A P56704 1/20 0.51
SPR P35270 2/20 0.51
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MITF O75030 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MPO P05164 4/20 0.48
TSHR P16473 1/20 0.47
NR4A2 P43354 1/20 0.47
SLC6A4 P31645 1/20 0.46

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
SCHEMBL5225716 0.84 NR4A2 (0.67) MTNR1AMTNR1BCTNNB1WNT3ASPR
SCHEMBL5220143 0.84 NR4A2 (0.67) MTNR1AMTNR1BLMNARAB9AMAPT
SCHEMBL8261018 0.83 ADAM17 (0.64) NOTUMMTNR1AMTNR1BALDH1A1CTNNB1
SCHEMBL2807419 0.83 GPR84 (0.54) ALDH1A1CTNNB1WNT3ASPRLMNA
SCHEMBL5222554 0.81 CTNNB1 (0.71) CTNNB1WNT3ALMNARAB9AMAPT
SCHEMBL29647629 0.80 ALDH1A1 (0.58) NOTUMMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL14076971 0.80 ALDH1A1 (0.58) NOTUMMTNR1AMTNR1BALDH1A1LMNA
SCHEMBL995637 0.80 NR4A2 (0.70) NOTUMMTNR1AMTNR1BALDH1A1SPR
SCHEMBL351449 0.80 MPO (0.69) NOTUMMTNR1AMTNR1BSPRKMT2A
SCHEMBL25400124 0.80 MPO (0.56) NOTUMMTNR1AMTNR1BALDH1A1SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827427-B1 ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARM BV (NL) 2008-07-23 EP disclosed
US-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-06-21 US disclosed
US-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-06-21 US disclosed
WO-2006061379-A1 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 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-20070142397-A2 PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A NOTUM 4072/4885MTNR1A 113/4885MTNR1B 78/4885

“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.