SCHEMBL4716745

SCHEMBL4716745

c1ccc(COc2cccc3c2NCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR1A P08908 4/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
HTR6 P50406 1/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
LIPE Q05469 1/20 0.41
SRC P12931 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41

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
SCHEMBL11870778 0.80 SLC6A4 (0.46) HTR1ASLC6A2SLC6A4SLC6A3BRD4
SCHEMBL9015265 0.79 CHRNA7 (0.44) MAPK1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL22368749 0.77 BRD4 (0.61) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL8878028 0.76 SRC (0.42) HTR2CSRC
SCHEMBL4716831 0.76 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL31443854 0.76 MAPT (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL29144623 0.76 HTR2A (0.49) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL30702565 0.76 HTR2A (0.49) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL4138667 0.76 BRD4 (0.56) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL4718545 0.76 SRC (0.44) HTR1ASLC6A2SLC6A4SLC6A3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309904-A 1- (1H-indol-1-yl) -3- (methylamino) -1-phenylpropan-2-ol derivatives and related compounds as monoamine reuptake modulators for the treatment of vasomotor symptoms (VMS) WYETH CORP (US) 2008-11-19 CN disclosed
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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 (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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS MAPT 1848/4885MAPK1 1355/4885TDP1 418/4885

“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.