SCHEMBL4087274

SCHEMBL4087274

Cc1ccccc1C1OC1CO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
CYP2C19 P33261 1/20 0.41
SLC5A2 P31639 9/20 0.38
SLC5A1 P13866 3/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL18802024 0.89 HTR2C (0.38) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL30443722 0.89 HTR2C (0.38) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL30443948 0.89 HTR2C (0.38) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL15538978 0.89 HTR2C (0.38) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL16795853 0.89 HTR2C (0.38) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL18802233 0.84 CYP2C19 (0.44) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL30443706 0.84 CYP2C19 (0.44) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL30445110 0.84 CYP2C19 (0.44) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL17093405 0.84 CYP2C19 (0.44) HTR2CHTR2AHTR2BCYP2C19SLC5A2
SCHEMBL15550468 0.84 CYP2C19 (0.44) HTR2CHTR2AHTR2BCYP2C19SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107548473-A Photoresists with Enhanced Sensitivity 亚历克斯·菲利普·格雷厄姆·罗宾逊 2018-01-05 CN disclosed
US-7638512-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-12-29 US disclosed
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
US-20080255102-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2008-10-16 US disclosed
US-7414052-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2008-08-19 US disclosed
EP-1730127-B1 HETEROCYCLIC PHENYLAMINOPROPANOL DERIVATIVES AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-06-25 EP 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
EP-1730127-A1 HETEROCYCLIC PHENYLAMINOPROPANOL DERIVATIVES AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth, A Corporation of the State of Delaware (US) 2006-12-13 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
WO-2005097761-A1 HETEROCYCLIC PHENYLAMINOPROPANOL DERIVATIVES AS MODULATORS OF 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
US-20050222142-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 (5 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 HTR2C 36/4885HTR2A 58/4885HTR2B 77/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT HTR2C 36/4885HTR2A 58/4885HTR2B 77/4885
US-20050222142-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT HTR2C 36/4885HTR2A 58/4885HTR2B 77/4885
US-20080255102-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HTR2C 38/4885HTR2A 76/4885HTR2B 85/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT HTR2C 36/4885HTR2A 58/4885HTR2B 77/4885

“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.