SCHEMBL4082091

SCHEMBL4082091

OC[C@H]1O[C@@H]1c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 15/20 0.46
KDM1A O60341 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 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
SCHEMBL7139302 1.00 SLC5A2 (0.46) SLC5A2KDM1AKDM4EALDH1A1LMNA
SCHEMBL7138372 1.00 SLC5A2 (0.46) SLC5A2KDM1AKDM4EALDH1A1LMNA
SCHEMBL7137640 1.00 SLC5A2 (0.46) SLC5A2KDM1AKDM4EALDH1A1LMNA
SCHEMBL7137636 1.00 SLC5A2 (0.46) SLC5A2KDM1AKDM4EALDH1A1LMNA
SCHEMBL15270237 0.85 SLC5A2 (0.67) SLC5A2KDM4EALDH1A1LMNAPOLB
SCHEMBL15298364 0.85 SLC5A2 (0.67) SLC5A2KDM4EALDH1A1LMNAPOLB
SCHEMBL20220894 0.85 SLC5A2 (0.67) SLC5A2KDM4EALDH1A1LMNAPOLB
SCHEMBL14590079 0.85 SLC5A2 (0.67) SLC5A2KDM4EALDH1A1LMNAPOLB
SCHEMBL13245435 0.79 SLC5A2 (0.47) SLC5A2ALDH1A1LMNAHTR2AHTR2C
SCHEMBL4382930 0.79 SLC6A2 (0.37) SLC5A2ALDH1A1

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 9 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
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
US-6509476-B1 Leukotriene antagonists; antiallergens, antiinflammatory agents, and antiasthmatic agents THE UNIVERSITY OF EAST ANGLIA (GB) 2003-01-21 US disclosed
US-6160120-A Process for preparing n-benzyl indoles ELI LILLY AND COMPANY (US) 2000-12-12 US disclosed
US-5807866-A Process for preparing N-benzyl indoles THE UNIVERSITY OF EAST ANGLIA (GB) 1998-09-15 US disclosed
EP-0775694-A2 Process for preparing N-benzyl indoles University of East Anglia (GB) 1997-05-28 EP 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 SLC5A2 80/4885KDM1A 1217/4885KDM4E 1254/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT SLC5A2 80/4885KDM1A 1217/4885KDM4E 1254/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT SLC5A2 80/4885KDM1A 1217/4885KDM4E 1254/4885

“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.