SCHEMBL1122816

SCHEMBL1122816

COC(=O)c1cccc(OCCNCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.64
DRD2 P14416 3/20 0.64
DRD3 P35462 3/20 0.64
ADRA1D P25100 1/20 0.64
ADRA1A P35348 1/20 0.64
ADRA1B P35368 1/20 0.64
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 1/20 0.58
MAOB P27338 1/20 0.57
PPARG P37231 1/20 0.56
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL8057894 0.87 DRD2 (0.62) DRD4DRD2DRD3KDM4EMAOB
Hydrochloric Acid SCHEMBL8057891 0.86 DRD2 (0.60) DRD4DRD2DRD3KDM4EMAOB
SCHEMBL1123563 0.85 MAPT (0.68) DRD4KDM4EPPARGKMT2AMAPT
SCHEMBL11846611 0.81 CYP4F2 (0.64) KDM4EKMT2AMAPTALDH1A1GAA
SCHEMBL20249539 0.81 LTA4H (0.64) DRD4KDM4EKMT2AMAPTRAB9A
SCHEMBL17726298 0.81 DRD4 (0.71) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL976424 0.81 MAOB (0.73) MAOBKMT2AMRGPRX4
SCHEMBL30412034 0.81 MAOB (0.73) MAOBKMT2AMRGPRX4
SCHEMBL24627608 0.81 L3MBTL1 (0.65) MAOBKMT2AMAPTRAB9AMRGPRX4
SCHEMBL308038 0.81 LOXL2 (0.64) KMT2ARAB9AMRGPRX4ALDH1A1

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 US disclosed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG DRD4 848/4885DRD2 541/4885DRD3 947/4885

“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.