SCHEMBL4087403

SCHEMBL4087403

OC(Cc1ccccc1)C(O)n1cnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.59
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
TNF P01375 1/20 0.49
HTT P42858 2/20 0.46
AGER Q15109 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ASAH1 Q13510 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9740610 0.85 HDAC8 (0.56) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL6094420 0.83 HSD17B10 (0.58) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL8870347 0.79 HDAC8 (0.57) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL9500071 0.77 HDAC8 (0.54) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL25670036 0.77 MEN1 (0.60) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL4070928 0.77 MEN1 (0.60) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL2297665 0.77 HDAC8 (0.61) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL2293973 0.77 HDAC8 (0.61) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL5388752 0.76 HDAC8 (0.51) HDAC8HSD17B10MEN1HPGDKMT2A
SCHEMBL7514337 0.76 HSD17B10 (0.58) HDAC8HSD17B10MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US 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 (3 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HDAC8 1804/4885HSD17B10 809/4885MEN1 2681/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT HDAC8 1804/4885HSD17B10 809/4885MEN1 2681/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HDAC8 1804/4885HSD17B10 809/4885MEN1 2681/4885

“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.