SCHEMBL4089127

SCHEMBL4089127

Cc1nc2ccccc2n1C(c1ccccc1)C(O)CO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.48
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
AGER Q15109 1/20 0.43
APAF1 O14727 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TNF P01375 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SLC6A2 P23975 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4077337 0.85 SLC6A2 (0.57) SLC6A2
SCHEMBL13870967 0.85 SLC6A2 (0.57) SLC6A2
Hydrochloric Acid SCHEMBL4079007 0.84 SLC6A2 (0.57) SLC6A2
SCHEMBL9538253 0.81 LMNA (0.56) LMNAKMT2ATSHRMEN1HSD17B10
SCHEMBL4087348 0.76 SLC6A2 (0.42) SLC6A2
SCHEMBL10538765 0.74 LMNA (0.51) LMNAKMT2ATSHRMEN1HSD17B10
SCHEMBL6282436 0.73 TSHR (0.53) LMNAKMT2ATSHRMEN1HSD17B10
SCHEMBL4077195 0.71 HSD17B10 (0.55) KMT2ATSHRMEN1HSD17B10MAPT
SCHEMBL4085215 0.70 SLC6A2 (0.74) LMNATSHRSLC6A2
SCHEMBL4086938 0.70 SLC6A2 (0.74) LMNAAGERSMN1; SMN2SLC6A2

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 LMNA 1081/4885KMT2A 1864/4885TSHR 3880/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT LMNA 1081/4885KMT2A 1864/4885TSHR 3880/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT LMNA 1081/4885KMT2A 1864/4885TSHR 3880/4885

“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.